(2S)-2-methylheptanoic acid
TL;DR: (2S)-2-methylheptanoic acid (CAS 116454-37-6) 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.
(2S)-2-methylheptanoic acid
Also Known As: 2-Methylenanthic acid, (2S)-2-methylheptanoic acid, (s)-2-methylheptanoic acid, (3s)-methylheptanoic acid, [S,(+)]-2-Methylheptanoic acid
| 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 | 116454-37-6 |
|---|---|
| SMILES | CCCCC[C@H](C)C(=O)O |
Product Overview
(2S)-2-methylheptanoic acid (CAS 116454-37-6), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: (2S)-2-methylheptanoic acid.
Chemical Property Profile of (2S)-2-methylheptanoic acid
Property Insights of (2S)-2-methylheptanoic acid
The XLogP value of 2.2874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-methylheptanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (2S)-2-methylheptanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-methylheptanoic 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 (2S)-2-methylheptanoic acid?
The CAS number of (2S)-2-methylheptanoic acid is 116454-37-6.
What is the molecular formula of (2S)-2-methylheptanoic acid?
The molecular formula of (2S)-2-methylheptanoic acid is C8H16O2.
What is the molecular weight of (2S)-2-methylheptanoic acid?
The molecular weight of (2S)-2-methylheptanoic acid is 144.12 g/mol.
Where can I buy (2S)-2-methylheptanoic acid?
You can request a quote for (2S)-2-methylheptanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-methylheptanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-methylheptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.