2-Oxo-2-phenylethanesulfonic acid
TL;DR: 2-Oxo-2-phenylethanesulfonic acid (CAS 4496-92-8) is a chemical compound with molecular formula C8H8O4S and molecular weight 200.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-2-phenylethanesulfonic acid
Also Known As: 2-oxo-2-phenylethanesulfonic acid, benzoylmethanesulfonic acid, 2-Oxo-2-phenylethane-1-sulfonic acid, RefChem:264854
| Molecular Formula | C8H8O4S |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.01433 |
| Heavy Atoms | 13 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 4496-92-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CS(=O)(=O)O |
| InChIKey | OESPNJQIRRMMGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxo-2-phenylethanesulfonic acid (CAS 4496-92-8), with molecular formula C8H8O4S and molecular weight 200.01 g/mol. IUPAC: 2-oxo-2-phenylethanesulfonic acid.
Chemical Property Profile of 2-Oxo-2-phenylethanesulfonic acid
Property Insights of 2-Oxo-2-phenylethanesulfonic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2-phenylethanesulfonic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-phenylethanesulfonic acid. Following Lipinski's Rule of Five, 2-Oxo-2-phenylethanesulfonic acid has 1 hydrogen bond donor(s) and 4 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 2-Oxo-2-phenylethanesulfonic acid?
The CAS number of 2-Oxo-2-phenylethanesulfonic acid is 4496-92-8.
What is the molecular formula of 2-Oxo-2-phenylethanesulfonic acid?
The molecular formula of 2-Oxo-2-phenylethanesulfonic acid is C8H8O4S.
What is the molecular weight of 2-Oxo-2-phenylethanesulfonic acid?
The molecular weight of 2-Oxo-2-phenylethanesulfonic acid is 200.01 g/mol.
Where can I buy 2-Oxo-2-phenylethanesulfonic acid?
You can request a quote for 2-Oxo-2-phenylethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-phenylethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-phenylethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.