Octanoic acid, 2-sulfo-, 1-methyl ester
TL;DR: Octanoic acid, 2-sulfo-, 1-methyl ester (CAS 67633-90-3) is a chemical compound with molecular formula C9H18O5S and molecular weight 238.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-1-oxooctane-2-sulfonic acid
Also Known As: 1-Methyl 2-sulfooctanoate, 1-Methyl 2-sulphooctanoate, Methyl caprylate-alpha-sulfonic acid, 1-methoxy-1-oxooctane-2-sulfonic acid, Octanoic acid, 2-sulfo-, 1-methyl ester
| Molecular Formula | C9H18O5S |
|---|---|
| Molecular Weight | 238.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 238.0875 |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 67633-90-3 |
|---|---|
| SMILES | CCCCCCC(C(=O)OC)S(=O)(=O)O |
| InChIKey | WKYWCZMWVIFSDE-UHFFFAOYSA-N |
Product Overview
Octanoic acid, 2-sulfo-, 1-methyl ester (CAS 67633-90-3), with molecular formula C9H18O5S and molecular weight 238.09 g/mol. IUPAC: 1-methoxy-1-oxooctane-2-sulfonic acid.
Chemical Property Profile of Octanoic acid, 2-sulfo-, 1-methyl ester
Property Insights of Octanoic acid, 2-sulfo-, 1-methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octanoic acid, 2-sulfo-, 1-methyl ester. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 2-sulfo-, 1-methyl ester. Following Lipinski's Rule of Five, Octanoic acid, 2-sulfo-, 1-methyl ester has 1 hydrogen bond donor(s) and 5 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, 2-sulfo-, 1-methyl ester?
The CAS number of Octanoic acid, 2-sulfo-, 1-methyl ester is 67633-90-3.
What is the molecular formula of Octanoic acid, 2-sulfo-, 1-methyl ester?
The molecular formula of Octanoic acid, 2-sulfo-, 1-methyl ester is C9H18O5S.
What is the molecular weight of Octanoic acid, 2-sulfo-, 1-methyl ester?
The molecular weight of Octanoic acid, 2-sulfo-, 1-methyl ester is 238.09 g/mol.
Where can I buy Octanoic acid, 2-sulfo-, 1-methyl ester?
You can request a quote for Octanoic acid, 2-sulfo-, 1-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanoic acid, 2-sulfo-, 1-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octanoic acid, 2-sulfo-, 1-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.