Ethyl benzenesulfonate
TL;DR: Ethyl benzenesulfonate (CAS 515-46-8) is a chemical compound with molecular formula C8H10O3S and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl benzenesulfonate
Also Known As: ETHYL BENZENESULFONATE, Ethyl benzenesulphonate, Benzenesulfonic acid ethyl ester, Ethyl Phenylsulfonate, Benzenesulfonic acid, ethyl ester
| Molecular Formula | C8H10O3S |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.03506 |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 515-46-8 |
|---|---|
| SMILES | CCOS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | XDRMBCMMABGNMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl benzenesulfonate (CAS 515-46-8), with molecular formula C8H10O3S and molecular weight 186.04 g/mol. IUPAC: ethyl benzenesulfonate.
Chemical Property Profile of Ethyl benzenesulfonate
Property Insights of Ethyl benzenesulfonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl benzenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Ethyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 Ethyl benzenesulfonate?
The CAS number of Ethyl benzenesulfonate is 515-46-8.
What is the molecular formula of Ethyl benzenesulfonate?
The molecular formula of Ethyl benzenesulfonate is C8H10O3S.
What is the molecular weight of Ethyl benzenesulfonate?
The molecular weight of Ethyl benzenesulfonate is 186.04 g/mol.
Where can I buy Ethyl benzenesulfonate?
You can request a quote for Ethyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.