3-甲基丁酸
TL;DR: 3-甲基丁酸 (CAS 503-74-2) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基丁酸
3-methylbutanoic acid
Also Known As: ISOVALERIC ACID, 3-Methylbutanoic acid, Isopentanoic acid, Delphinic acid, Isopropylacetic acid
| Molecular Formula | C5H10O2 |
|---|---|
| Molecular Weight | 102.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.06808 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
| Melting Point | -29.3 |
| Boiling Point | 176.5 |
| Density | 0.931 @ 20 °C |
| Solubility | 40700 |
| Flash Point | 70 °C |
| Vapor Pressure | 0.44 [mmHg] |
| Refractive Index | = 1.4033 at 20 °C |
Chemical Identifiers
| CAS Number | 503-74-2 |
|---|---|
| SMILES | CC(C)CC(=O)O |
| InChIKey | GWYFCOCPABKNJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基丁酸 (CAS 503-74-2), with molecular formula C5H10O2 and molecular weight 102.07 g/mol. IUPAC: 3-methylbutanoic acid.
Chemical Property Profile of 3-甲基丁酸
Property Insights of 3-甲基丁酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基丁酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-甲基丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基丁酸 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-甲基丁酸?
The CAS number of 3-甲基丁酸 is 503-74-2.
What is the molecular formula of 3-甲基丁酸?
The molecular formula of 3-甲基丁酸 is C5H10O2.
What is the molecular weight of 3-甲基丁酸?
The molecular weight of 3-甲基丁酸 is 102.07 g/mol.
Where can I buy 3-甲基丁酸?
You can request a quote for 3-甲基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.