5-Methylhexanoic acid
TL;DR: 5-Methylhexanoic acid (CAS 628-46-6) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylhexanoic acid
Also Known As: 5-METHYLHEXANOIC ACID, Isoheptanoic acid, Isoenanthic acid, Isoamylacetic acid, Isovenanthic acid
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 86.0 |
| Melting Point | < -25 °C |
| Density | 0.912 (24°) |
| Solubility | soluble in water; miscible with fat |
| Refractive Index | 1.422 |
Chemical Identifiers
| CAS Number | 628-46-6 |
|---|---|
| SMILES | CC(C)CCCC(=O)O |
| InChIKey | MHPUGCYGQWGLJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylhexanoic acid (CAS 628-46-6), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: 5-methylhexanoic acid.
Chemical Property Profile of 5-Methylhexanoic acid
Property Insights of 5-Methylhexanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylhexanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Methylhexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylhexanoic 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 5-Methylhexanoic acid?
The CAS number of 5-Methylhexanoic acid is 628-46-6.
What is the molecular formula of 5-Methylhexanoic acid?
The molecular formula of 5-Methylhexanoic acid is C7H14O2.
What is the molecular weight of 5-Methylhexanoic acid?
The molecular weight of 5-Methylhexanoic acid is 130.10 g/mol.
Where can I buy 5-Methylhexanoic acid?
You can request a quote for 5-Methylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.