Octanoic acid, 4-methyl-, (4S)-
TL;DR: Octanoic acid, 4-methyl-, (4S)- (CAS 128342-72-3) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-methyloctanoic acid
Also Known As: (s)-4-methyloctanoic acid, 4-Methyloctanoic acid, Octanoic acid, 4-methyl-, (4S)-, (4S)-4-methyloctanoic acid, Octanoicacid,4-methyl-,(4S)-
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.6775 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 110.13036 |
Chemical Identifiers
| CAS Number | 128342-72-3 |
|---|---|
| SMILES | CCCC[C@H](C)CCC(=O)O |
Product Overview
Octanoic acid, 4-methyl-, (4S)- (CAS 128342-72-3), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: (4S)-4-methyloctanoic acid.
Chemical Property Profile of Octanoic acid, 4-methyl-, (4S)-
Property Insights of Octanoic acid, 4-methyl-, (4S)-
The XLogP value of 2.6775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanoic acid, 4-methyl-, (4S)-. With a topological polar surface area (TPSA) of 37.3 Ų, Octanoic acid, 4-methyl-, (4S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanoic acid, 4-methyl-, (4S)- 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 Octanoic acid, 4-methyl-, (4S)-?
The CAS number of Octanoic acid, 4-methyl-, (4S)- is 128342-72-3.
What is the molecular formula of Octanoic acid, 4-methyl-, (4S)-?
The molecular formula of Octanoic acid, 4-methyl-, (4S)- is C9H18O2.
What is the molecular weight of Octanoic acid, 4-methyl-, (4S)-?
The molecular weight of Octanoic acid, 4-methyl-, (4S)- is 158.13 g/mol.
Where can I buy Octanoic acid, 4-methyl-, (4S)-?
You can request a quote for Octanoic acid, 4-methyl-, (4S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, 4-methyl-, (4S)-?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 4-methyl-, (4S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.