Methyl benzenesulfonate
TL;DR: Methyl benzenesulfonate (CAS 80-18-2) is a chemical compound with molecular formula C7H8O3S and molecular weight 172.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl benzenesulfonate
Also Known As: METHYL BENZENESULFONATE, Methyl besylate, Methyl benzenesulphonate, methylbenzenesulfonate, Benzenesulfonic acid, methyl ester
| Molecular Formula | C7H8O3S |
|---|---|
| Molecular Weight | 172.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.01941 |
| Heavy Atoms | 11 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 80-18-2 |
|---|---|
| SMILES | COS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | CZXGXYBOQYQXQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl benzenesulfonate (CAS 80-18-2), with molecular formula C7H8O3S and molecular weight 172.02 g/mol. IUPAC: methyl benzenesulfonate.
Chemical Property Profile of Methyl benzenesulfonate
Property Insights of Methyl benzenesulfonate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl benzenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Methyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl benzenesulfonate 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 Methyl benzenesulfonate?
The CAS number of Methyl benzenesulfonate is 80-18-2.
What is the molecular formula of Methyl benzenesulfonate?
The molecular formula of Methyl benzenesulfonate is C7H8O3S.
What is the molecular weight of Methyl benzenesulfonate?
The molecular weight of Methyl benzenesulfonate is 172.02 g/mol.
Where can I buy Methyl benzenesulfonate?
You can request a quote for Methyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.