Phenyl ethenesulfonate
TL;DR: Phenyl ethenesulfonate (CAS 84930-23-4) is a chemical compound with molecular formula C8H8O3S and molecular weight 184.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl ethenesulfonate
Also Known As: phenyl ethenesulfonate, Phenyl vinylsulfonate, phenyl ethene-1-sulfonate, Phenyl ethylenesulfonate, Ethenesulfonic acid, phenyl ester
| Molecular Formula | C8H8O3S |
|---|---|
| Molecular Weight | 184.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.01941 |
| Heavy Atoms | 12 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 84930-23-4 |
|---|---|
| SMILES | C=CS(=O)(=O)OC1=CC=CC=C1 |
| InChIKey | CILDJVVXNMDAGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl ethenesulfonate (CAS 84930-23-4), with molecular formula C8H8O3S and molecular weight 184.02 g/mol. IUPAC: phenyl ethenesulfonate.
Chemical Property Profile of Phenyl ethenesulfonate
Property Insights of Phenyl ethenesulfonate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl ethenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Phenyl ethenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl ethenesulfonate 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 Phenyl ethenesulfonate?
The CAS number of Phenyl ethenesulfonate is 84930-23-4.
What is the molecular formula of Phenyl ethenesulfonate?
The molecular formula of Phenyl ethenesulfonate is C8H8O3S.
What is the molecular weight of Phenyl ethenesulfonate?
The molecular weight of Phenyl ethenesulfonate is 184.02 g/mol.
Where can I buy Phenyl ethenesulfonate?
You can request a quote for Phenyl ethenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl ethenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl ethenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.