6-Methyloctanoic acid
TL;DR: 6-Methyloctanoic acid (CAS 504-99-4) 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.
6-methyloctanoic acid
Also Known As: 6-methyloctanoic acid, isopelargonic acid, Anteisononanoic acid, 6-methyl caprylic acid, 6-methyl-octanoic acid
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 504-99-4 |
|---|---|
| SMILES | CCC(C)CCCCC(=O)O |
| InChIKey | GPOPHQSTNHUENT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methyloctanoic acid (CAS 504-99-4), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 6-methyloctanoic acid.
Chemical Property Profile of 6-Methyloctanoic acid
Property Insights of 6-Methyloctanoic acid
The XLogP value of 3.0 indicates that 6-Methyloctanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 6-Methyloctanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyloctanoic 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 6-Methyloctanoic acid?
The CAS number of 6-Methyloctanoic acid is 504-99-4.
What is the molecular formula of 6-Methyloctanoic acid?
The molecular formula of 6-Methyloctanoic acid is C9H18O2.
What is the molecular weight of 6-Methyloctanoic acid?
The molecular weight of 6-Methyloctanoic acid is 158.13 g/mol.
Where can I buy 6-Methyloctanoic acid?
You can request a quote for 6-Methyloctanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyloctanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyloctanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.