| Size | Price | |
|---|---|---|
| 5g | ||
| Other Sizes |
| Targets |
Benzofuran-3-carbaldehyde does not have a defined pharmacological target. It is a versatile organic compound that serves as a key intermediate in the synthesis of various benzofuran derivatives. As a building block, it can be used to introduce the benzofuran moiety into target molecules.
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|---|---|
| ln Vitro |
In vitro, benzofuran-3-carbaldehyde is used as a chemical intermediate. It can be employed in various organic reactions, such as condensation, reduction, and oxidation, to synthesize biologically active compounds. Its derivatives have shown MIC values of 0.1 mg/mL against R. fascians and IC₅₀ values of 22.8-32.7 μM against A375 melanoma cells.
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| ln Vivo |
In vivo, benzofuran-3-carbaldehyde is not used as a therapeutic agent. Its applications are confined to chemical synthesis.
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| Enzyme Assay |
Non-cellular assays for benzofuran-3-carbaldehyde are not applicable, as it is a chemical intermediate. Its characterization involves analytical methods such as NMR, HPLC, and mass spectrometry to confirm structure and purity.
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| Cell Assay |
Cell-based assays are not performed with benzofuran-3-carbaldehyde as a test article. It is used in the chemical synthesis of compounds that are subsequently evaluated for biological activity.
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| Animal Protocol |
In vivo animal studies are not conducted with benzofuran-3-carbaldehyde as a primary test agent. It is used in the chemical synthesis of compounds that are then evaluated in animal models.
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| ADME/Pharmacokinetics |
Pharmacokinetic data are not applicable for benzofuran-3-carbaldehyde, as it is a chemical intermediate rather than a drug candidate.
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| Toxicity/Toxicokinetics |
Benzofuran-3-carbaldehyde may cause skin and eye irritation. Standard laboratory safety precautions should be followed.
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| References |
[1]. Bolling BW, et al. Phenolic derivatives from soy flour ethanol extract are potent in vitro quinone reductase (QR) inducing agents. J Agric Food Chem. 2008 Nov 26;56(22):10473-80.
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| Additional Infomation |
Benzofuran-3-carbaldehyde is a research chemical and a key intermediate in the synthesis of various benzofuran derivatives. It is not an approved drug and is not intended for human therapeutic use.
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| Molecular Formula |
C9H6O2
|
|---|---|
| Molecular Weight |
146.14
|
| Exact Mass |
146.036
|
| CAS # |
4687-25-6
|
| PubChem CID |
12394139
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
251.5±13.0 °C at 760 mmHg
|
| Melting Point |
39°C
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| Flash Point |
110.2±12.5 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.652
|
| LogP |
2.09
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
11
|
| Complexity |
156
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O1C([H])=C(C([H])=O)C2=C([H])C([H])=C([H])C([H])=C12
|
| InChi Key |
XUMWJQJGCFTJOE-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C9H6O2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-6H
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| Chemical Name |
1-benzofuran-3-carbaldehyde
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (684.28 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.11 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (17.11 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (17.11 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.8428 mL | 34.2138 mL | 68.4275 mL | |
| 5 mM | 1.3686 mL | 6.8428 mL | 13.6855 mL | |
| 10 mM | 0.6843 mL | 3.4214 mL | 6.8428 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.
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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