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D149 Dye

Cat No.:V29315 Purity: ≥98%
D149 Dye is an indoline dye and a non-metallic organic sensitizer with high extinction coefficient.
D149 Dye
D149 Dye Chemical Structure CAS No.: 786643-20-7
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
50mg
100mg
250mg
500mg
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Product Description
D149 Dye is an indoline dye and a non-metallic organic sensitizer with high extinction coefficient.
D149 Dye (CAS#: 786643-20-7) is a metal-free indoline-based organic sensitizer characterized by a high molar extinction coefficient. With a molecular formula of C42H3₅N3O4S3 and a molecular weight of 741.94, D149 Dye has an extinction coefficient of 68,700 M-¹cm-¹ at 540 nm. It has a high conversion efficiency and can be used as a sensitizer in dye-sensitized solar cells (DSSCs). D149 is a metal-free organic dye that represents a viable all-organic alternative for photovoltaic applications, with solar energy conversion efficiencies of up to 9%. The compound is intended for research purposes only.
Biological Activity I Assay Protocols (From Reference)
Targets
D149 Dye does not have a biological target, as it is an organic sensitizer used in photovoltaic applications rather than a pharmaceutical compound. The compound is designed for use in dye-sensitized solar cells (DSSCs), where it functions as a photosensitizer that absorbs light and injects electrons into the semiconductor (typically titanium dioxide). As a metal-free indoline dye, D149 represents a viable all-organic alternative to metal-based sensitizers. The compound's high molar extinction coefficient (68,700 M-¹cm-¹ at 540 nm) enables efficient light harvesting, contributing to its high conversion efficiency in solar cell applications. D149's "target" is therefore the absorption of light energy for conversion to electrical energy rather than any biological receptor or enzyme.
ln Vitro
D149 is a metal-free organic dye that represents a viable all-organic alternative. D149 has a power conversion efficiency of up to 9%. Furthermore, the peak extinction value of D149 at 540 nm is 68700 M-1 cm-1, which is much greater than the 13900 M-1 cm-1 of N719 at 535 nm[1]. D149, a metal-free indoline dye, is a highly promising sensitizer for dye-sensitized solar cells (DSSC), with solar energy conversion efficiencies of up to 9%. D149 exhibits significant unresolved aromatic and olefinic signals between 7 and 7.5 ppm [2].
D149 Dye demonstrates excellent in vitro photophysical properties as a sensitizer for dye-sensitized solar cells (DSSCs). The compound has a high molar extinction coefficient of 68,700 M-¹cm-¹ at 540 nm, enabling efficient light absorption. D149 is a metal-free organic dye that represents a viable all-organic alternative for photovoltaic applications. It has a high conversion efficiency and can be used as a sensitizer, achieving solar energy conversion efficiencies of up to 9%. The compound's photophysical properties, including its absorption spectrum, molar extinction coefficient, and electron injection efficiency, have been characterized in various DSSC configurations. D149's performance as a sensitizer makes it a valuable research tool for studying organic photovoltaic materials and devices.
ln Vivo
In vivo activity data are not applicable for D149 Dye, as this compound is a photosensitizer used in photovoltaic applications rather than a pharmaceutical compound for biological systems. The compound is designed for use in dye-sensitized solar cells (DSSCs) and other photovoltaic applications, where it functions as a light-absorbing material that converts solar energy into electrical energy. D149 is not intended for administration to living organisms and does not exert biological effects. Its utility is limited to materials science and renewable energy research, where it serves as a model compound for studying organic sensitizers and improving solar cell efficiency. The compound has a purity of 98% HPLC.
Enzyme Assay
The in vitro enzyme/receptor binding assay is not applicable for D149 Dye, as this compound is a photosensitizer used in photovoltaic applications rather than a compound evaluated for biological activity. Instead, the characterization of D149 Dye involves photophysical and electrochemical measurements. Typical protocols include UV-Vis absorption spectroscopy to determine the molar extinction coefficient (68,700 M-¹cm-¹ at 540 nm) and fluorescence spectroscopy to measure emission properties. For DSSC applications, the dye is adsorbed onto a titanium dioxide (TiO2) photoanode, and the device performance is evaluated by measuring current-voltage (I-V) characteristics under simulated solar illumination. Incident photon-to-current conversion efficiency (IPCE) measurements are performed to assess the dye's spectral response. Electrochemical impedance spectroscopy is used to study charge transport and recombination dynamics.
Cell Assay
The in vitro cell-based assay is not applicable for D149 Dye, as this compound is a photosensitizer used in photovoltaic applications rather than a compound tested on biological cells. D149 is a metal-free organic dye used in dye-sensitized solar cells (DSSCs) and other photovoltaic applications, where it functions as a light-absorbing material. The compound is not intended for biological studies and is not tested on cultured cells for pharmacological or toxicological effects. Its utility is limited to materials science and renewable energy research, where it serves as a model compound for studying organic sensitizers and improving solar cell efficiency. The compound has a molecular formula of C42H3₅N3O4S3 and a molecular weight of 741.94.
Animal Protocol
In vivo animal studies are not applicable for D149 Dye, as this compound is a photosensitizer used in photovoltaic applications rather than a pharmaceutical compound for animal studies. The compound is designed for use in dye-sensitized solar cells (DSSCs) and other photovoltaic applications, where it functions as a light-absorbing material that converts solar energy into electrical energy. D149 is not administered to animals and does not exert biological effects. Its utility is limited to materials science and renewable energy research. The compound has a purity of 98% HPLC, a molecular formula of C42H3₅N3O4S3, and a molecular weight of 741.94.
ADME/Pharmacokinetics
Pharmacokinetic properties are not applicable for D149 Dye, as this compound is a photosensitizer used in photovoltaic applications rather than a pharmaceutical compound for biological systems. The compound has a molecular weight of 741.94 g/mol and a molecular formula of C42H3₅N3O4S3. It has a purity of 98% HPLC. D149 is a metal-free indoline dye with a high molar extinction coefficient of 68,700 M-¹cm-¹ at 540 nm. The compound is not administered to living organisms, and its pharmacokinetic properties have not been studied. Its utility is limited to materials science and renewable energy research. The compound should be stored and handled according to standard laboratory practices for organic dyes.
Toxicity/Toxicokinetics
Toxicity data for D149 Dye are limited, as this compound is a photosensitizer used in photovoltaic applications rather than a pharmaceutical compound for biological systems. Standard safety precautions should be followed when handling this compound, including the use of appropriate personal protective equipment such as gloves and lab coats to prevent skin contact and inhalation of dust. The compound should be handled in a well-ventilated area. In case of accidental exposure, rinse affected areas with plenty of water and seek medical attention if irritation persists. Proper waste disposal procedures should be observed in accordance with local regulations. As with all research chemicals, exposure should be minimized and the compound should be stored securely away from incompatible materials. The compound has a purity of 98% HPLC.
References

[1]. 3D hierarchical rutile TiO2 and metal-free organic sensitizer producing dye-sensitized solar cells 8.6% conversion efficiency. Sci Rep. 2014 Aug 29;4:5769.

[2]. Isomerization and Aggregation of the Solar Cell Dye D149. J Phys Chem C Nanomater Interfaces. 2012 Dec 20;116(50):26144-26153.

Additional Infomation
D149 Dye (CAS#: 786643-20-7) is a research-grade organic sensitizer with the molecular formula C42H3₅N3O4S3 and a molecular weight of 741.94. Also known as D149, this compound is a metal-free indoline-based organic sensitizer characterized by a high molar extinction coefficient of 68,700 M-¹cm-¹ at 540 nm. D149 is a metal-free organic dye that represents a viable all-organic alternative for photovoltaic applications. It has a high conversion efficiency and can be used as a sensitizer in dye-sensitized solar cells (DSSCs), achieving solar energy conversion efficiencies of up to 9%. The compound has a purity of 98% HPLC and is intended for research purposes only. No biological or clinical applications have been reported for this compound, as it is exclusively used in materials science and renewable energy research.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C42H35N3O4S3
Molecular Weight
741.94
Exact Mass
741.179
CAS #
786643-20-7
PubChem CID
59288294
Appearance
Light brown to black solid powder
Density
1.47g/cm3
LogP
7.191
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
8
Heavy Atom Count
52
Complexity
1480
Defined Atom Stereocenter Count
0
SMILES
CCN1C(=O)/C(=C/2\N(C(=O)/C(=C\C3=CC4=C(C=C3)N(C5C4CCC5)C6=CC=C(C=C6)C=C(C7=CC=CC=C7)C8=CC=CC=C8)/S2)CC(=O)O)/SC1=S
InChi Key
OZFUEQNYOBIXTB-YIVSFYALSA-N
InChi Code
InChI=1S/C42H35N3O4S3/c1-2-43-40(49)38(52-42(43)50)41-44(25-37(46)47)39(48)36(51-41)24-27-18-21-35-33(23-27)31-14-9-15-34(31)45(35)30-19-16-26(17-20-30)22-32(28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-13,16-24,31,34H,2,9,14-15,25H2,1H3,(H,46,47)/b36-24+,41-38-
Chemical Name
2-[(2Z,5E)-5-[[4-[4-(2,2-diphenylethenyl)phenyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-7-yl]methylidene]-2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
DMSO : ~1 mg/mL (~1.35 mM)
H2O : ~1 mg/mL (~1.35 mM)
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 1.3478 mL 6.7391 mL 13.4782 mL
5 mM 0.2696 mL 1.3478 mL 2.6956 mL
10 mM 0.1348 mL 0.6739 mL 1.3478 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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