| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
2,2-Dibutylpropane-1,3-diol has no defined biological target; it is a chemical intermediate and biochemical reagent. It is a biomolecule used in research as a biochemical assay reagent. The compound contains two primary alcohol groups (-OH) that can be functionalized to create various derivatives. It is used as a pharmaceutical intermediate, meaning it is employed in the synthesis of active pharmaceutical ingredients (APIs). The final drug molecules may have various biological targets, depending on the specific API.
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| ln Vitro |
Not applicable. 2,2-Dibutylpropane-1,3-diol is not a drug and has no direct in vitro biological activity as a therapeutic agent. It is a biochemical assay reagent and is not evaluated in standard enzyme inhibition or cell viability assays for drug discovery. It is a building block for organic synthesis and a pharmaceutical intermediate. Its biological activity is determined by the final API, not by the intermediate itself.
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| ln Vivo |
Not applicable. 2,2-Dibutylpropane-1,3-diol is not intended for in vivo use as a drug. It is a chemical intermediate and biochemical reagent. In vivo biological activity would be determined by the final drug molecule synthesized from this building block, not by the intermediate itself. No therapeutic in vivo activity is reported.
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| Enzyme Assay |
Not applicable. 2,2-Dibutylpropane-1,3-diol is a chemical intermediate, not a standard enzyme inhibitor. Its purity (>95%) is assessed by GC or HPLC. The structure is confirmed by ¹H NMR (CH2OH delta 3.5-3.6 ppm, CH2 delta 1.2-1.6 ppm, CH3 delta 0.8-1.0 ppm) and mass spectrometry (EI-MS, expected [M]+ m/z 188). Physicochemical properties: MW 188.31, white to off-white solid, melting point 41-43degC, flash point 113degC, soluble in DMSO, ethanol, and organic solvents, slightly soluble in water. No biological assays are applicable.
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| Cell Assay |
Not applicable. 2,2-Dibutylpropane-1,3-diol is not used in standard cell-based assays for drug discovery. For toxicity screening, HepG2 or HEK293 cells are seeded in 96-well plates (1×10⁴ cells/well) and treated with the compound (1-1000 uM) for 24-72 h. Cell viability is measured by MTT assay. The CC₅0 is expected to be >500 uM, indicating low cytotoxicity. The compound is a biochemical reagent, not a test agent for pharmacological studies.
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| Animal Protocol |
No in vivo animal protocol for 2,2-Dibutylpropane-1,3-diol exists, as it is not a drug candidate. For acute toxicity testing, female Sprague-Dawley rats (n=3-5 per dose) are administered a single oral dose of the compound in corn oil at 500, 1000, 2000, 5000 mg/kg and observed for 14 days for mortality and clinical signs. The LD₅0 is expected to be >2000 mg/kg (low acute toxicity). This protocol is not typically performed for this compound.
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| ADME/Pharmacokinetics |
No PK data for 2,2-Dibutylpropane-1,3-diol is available, as it is an intermediate, not a drug. As a small, moderately lipophilic molecule (MW 188.31, LogP ~2.5), it would be absorbed if ingested. It is not intended for systemic administration. The compound is a synthetic intermediate, not a drug. For research use, it is stored at room temperature in a tightly sealed container, protected from light.
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| Toxicity/Toxicokinetics |
For 2,2-Dibutylpropane-1,3-diol, hazard statements: H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation). Signal word: Warning. Precautionary statements: P261 (Avoid breathing dust/fume/gas/mist/vapors/spray), P280 (Wear protective gloves/protective clothing/eye protection/face protection), P305+P351+P338 (IF IN EYES: Rinse cautiously with water for several minutes). Storage: at room temperature, sealed, protect from light.
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| Additional Infomation |
2,2-Dibutylpropane-1,3-diol (2,2-Di-n-butyl-1,3-propanediol; CAS# 24765-57-9) is a research-grade pharmaceutical intermediate and biochemical reagent. It is not an FDA-approved drug. For research and industrial synthesis use only, not for diagnostic or therapeutic applications.
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| Molecular Formula |
C11H24O2
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|---|---|
| Molecular Weight |
188.31
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| Exact Mass |
188.178
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| CAS # |
24765-57-9
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| PubChem CID |
4080430
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| Appearance |
Solid powder
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| Density |
0.917g/cm3
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| Boiling Point |
125-130ºC 1mm
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| Melting Point |
41-43ºC
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| Flash Point |
>230 °F
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| Vapour Pressure |
0.000991mmHg at 25°C
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| Index of Refraction |
1.458
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| LogP |
2.338
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
13
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| Complexity |
98.7
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCC(CCCC)(CO)CO
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| InChi Key |
OJMJOSRCBAXSAQ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H24O2/c1-3-5-7-11(9-12,10-13)8-6-4-2/h12-13H,3-10H2,1-2H3
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| Chemical Name |
2,2-dibutylpropane-1,3-diol
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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 |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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 : PEG300 ：Tween 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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.3104 mL | 26.5520 mL | 53.1039 mL | |
| 5 mM | 1.0621 mL | 5.3104 mL | 10.6208 mL | |
| 10 mM | 0.5310 mL | 2.6552 mL | 5.3104 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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