3-Methyl-heptanoic acid
TL;DR: 3-Methyl-heptanoic acid (CAS 59614-85-6) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylheptanoic acid
Also Known As: 3-methylheptanoic acid, 3-methyl-heptanoic acid, 3-Methylheptanoicacid, r-cyclohexyl glycine, 3-methoxybutane-1-ol
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.2874 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 99.43071 |
Chemical Identifiers
| CAS Number | 59614-85-6 |
|---|---|
| SMILES | CCCCC(C)CC(=O)O |
Product Overview
3-Methyl-heptanoic acid (CAS 59614-85-6), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 3-methylheptanoic acid.
Chemical Property Profile of 3-Methyl-heptanoic acid
Property Insights of 3-Methyl-heptanoic acid
The XLogP value of 2.2874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-heptanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Methyl-heptanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-heptanoic acid has 1 hydrogen bond donor(s) and 1 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-Methyl-heptanoic acid?
The CAS number of 3-Methyl-heptanoic acid is 59614-85-6.
What is the molecular formula of 3-Methyl-heptanoic acid?
The molecular formula of 3-Methyl-heptanoic acid is C8H16O2.
What is the molecular weight of 3-Methyl-heptanoic acid?
The molecular weight of 3-Methyl-heptanoic acid is 144.12 g/mol.
Where can I buy 3-Methyl-heptanoic acid?
You can request a quote for 3-Methyl-heptanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-heptanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-heptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.