Ethenesulfonic acid, 2-chloroethyl ester
TL;DR: Ethenesulfonic acid, 2-chloroethyl ester (CAS 4058-28-0) is a chemical compound with molecular formula C4H7ClO3S and molecular weight 169.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl ethenesulfonate
Also Known As: 2-chloroethyl ethenesulfonate, Ethenesulfonic acid, 2-chloroethyl ester, 2-CHLOROETHYL ETHENE-1-SULFONATE
| Molecular Formula | C4H7ClO3S |
|---|---|
| Molecular Weight | 169.98 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.98044 |
| Heavy Atoms | 9 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 4058-28-0 |
|---|---|
| SMILES | C=CS(=O)(=O)OCCCl |
| InChIKey | JOYOHVULYPFKHM-UHFFFAOYSA-N |
Product Overview
Ethenesulfonic acid, 2-chloroethyl ester (CAS 4058-28-0), with molecular formula C4H7ClO3S and molecular weight 169.98 g/mol. IUPAC: 2-chloroethyl ethenesulfonate.
Chemical Property Profile of Ethenesulfonic acid, 2-chloroethyl ester
Property Insights of Ethenesulfonic acid, 2-chloroethyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethenesulfonic acid, 2-chloroethyl ester. With a topological polar surface area (TPSA) of 51.8 Ų, Ethenesulfonic acid, 2-chloroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethenesulfonic acid, 2-chloroethyl 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, 2-chloroethyl ester?
The CAS number of Ethenesulfonic acid, 2-chloroethyl ester is 4058-28-0.
What is the molecular formula of Ethenesulfonic acid, 2-chloroethyl ester?
The molecular formula of Ethenesulfonic acid, 2-chloroethyl ester is C4H7ClO3S.
What is the molecular weight of Ethenesulfonic acid, 2-chloroethyl ester?
The molecular weight of Ethenesulfonic acid, 2-chloroethyl ester is 169.98 g/mol.
Where can I buy Ethenesulfonic acid, 2-chloroethyl ester?
You can request a quote for Ethenesulfonic acid, 2-chloroethyl 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, 2-chloroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethenesulfonic acid, 2-chloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.