Ethenesulfonic acid, p-chlorophenyl ester
TL;DR: Ethenesulfonic acid, p-chlorophenyl ester (CAS 3058-82-0) is a chemical compound with molecular formula C8H7ClO3S and molecular weight 217.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) ethenesulfonate
Also Known As: Ethenesulfonic acid, p-chlorophenyl ester, (4-chlorophenyl) ethenesulfonate, 4-chlorophenyl ethenesulfonate, p-Chlorophenyl ethenesulfonate, p-Chlorophenyl ethylenesulfonate
| Molecular Formula | C8H7ClO3S |
|---|---|
| Molecular Weight | 217.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.98044 |
| Heavy Atoms | 13 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 3058-82-0 |
|---|---|
| SMILES | C=CS(=O)(=O)OC1=CC=C(C=C1)Cl |
| InChIKey | IBSQGRPUEMBWMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethenesulfonic acid, p-chlorophenyl ester (CAS 3058-82-0), with molecular formula C8H7ClO3S and molecular weight 217.98 g/mol. IUPAC: (4-chlorophenyl) ethenesulfonate.
Chemical Property Profile of Ethenesulfonic acid, p-chlorophenyl ester
Property Insights of Ethenesulfonic acid, p-chlorophenyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethenesulfonic acid, p-chlorophenyl ester. With a topological polar surface area (TPSA) of 51.8 Ų, Ethenesulfonic acid, p-chlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethenesulfonic acid, p-chlorophenyl 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 Ethenesulfonic acid, p-chlorophenyl ester?
The CAS number of Ethenesulfonic acid, p-chlorophenyl ester is 3058-82-0.
What is the molecular formula of Ethenesulfonic acid, p-chlorophenyl ester?
The molecular formula of Ethenesulfonic acid, p-chlorophenyl ester is C8H7ClO3S.
What is the molecular weight of Ethenesulfonic acid, p-chlorophenyl ester?
The molecular weight of Ethenesulfonic acid, p-chlorophenyl ester is 217.98 g/mol.
Where can I buy Ethenesulfonic acid, p-chlorophenyl ester?
You can request a quote for Ethenesulfonic acid, p-chlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethenesulfonic acid, p-chlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethenesulfonic acid, p-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.