1-Hexanesulfonic acid, methyl ester
TL;DR: 1-Hexanesulfonic acid, methyl ester (CAS 10307-26-3) is a chemical compound with molecular formula C7H16O3S and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl hexane-1-sulfonate
Also Known As: Methyl n-hexylsulfonate, Methyl hexane sulfonate, methyl hexane-1-sulfonate, methyl hexanesulphonate, Methyl 1-hexanesulfonate #
| Molecular Formula | C7H16O3S |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 180.08202 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 10307-26-3 |
|---|---|
| SMILES | CCCCCCS(=O)(=O)OC |
| InChIKey | LKUKELOKXUATFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hexanesulfonic acid, methyl ester (CAS 10307-26-3), with molecular formula C7H16O3S and molecular weight 180.08 g/mol. IUPAC: methyl hexane-1-sulfonate.
Chemical Property Profile of 1-Hexanesulfonic acid, methyl ester
Property Insights of 1-Hexanesulfonic acid, methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexanesulfonic acid, methyl ester. With a topological polar surface area (TPSA) of 51.8 Ų, 1-Hexanesulfonic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexanesulfonic acid, methyl ester has 0 hydrogen bond donor(s) and 3 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 1-Hexanesulfonic acid, methyl ester?
The CAS number of 1-Hexanesulfonic acid, methyl ester is 10307-26-3.
What is the molecular formula of 1-Hexanesulfonic acid, methyl ester?
The molecular formula of 1-Hexanesulfonic acid, methyl ester is C7H16O3S.
What is the molecular weight of 1-Hexanesulfonic acid, methyl ester?
The molecular weight of 1-Hexanesulfonic acid, methyl ester is 180.08 g/mol.
Where can I buy 1-Hexanesulfonic acid, methyl ester?
You can request a quote for 1-Hexanesulfonic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexanesulfonic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexanesulfonic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.