2-Methylvaleric acid
TL;DR: 2-Methylvaleric acid (CAS 97-61-0) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpentanoic acid
Also Known As: 2-Methylpentanoic acid, 2-METHYLVALERIC ACID, Pentanoic acid, 2-methyl-, Methylpropylacetic acid, 2-Pentanecarboxylic acid
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
| Density | 0.919-0.922 |
| Solubility | 1 ml in 1 ml 95% alcohol (in ethanol) |
| Vapor Pressure | 0.44 [mmHg] |
| Refractive Index | 1.411-1.416 |
Chemical Identifiers
| CAS Number | 97-61-0 |
|---|---|
| SMILES | CCCC(C)C(=O)O |
| InChIKey | OVBFMEVBMNZIBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylvaleric acid (CAS 97-61-0), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 2-methylpentanoic acid.
Chemical Property Profile of 2-Methylvaleric acid
Property Insights of 2-Methylvaleric acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylvaleric acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Methylvaleric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylvaleric acid 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 2-Methylvaleric acid?
The CAS number of 2-Methylvaleric acid is 97-61-0.
What is the molecular formula of 2-Methylvaleric acid?
The molecular formula of 2-Methylvaleric acid is C6H12O2.
What is the molecular weight of 2-Methylvaleric acid?
The molecular weight of 2-Methylvaleric acid is 116.08 g/mol.
Where can I buy 2-Methylvaleric acid?
You can request a quote for 2-Methylvaleric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylvaleric acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylvaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.