Benzenesulfonic acid, 4-ethenyl-, methyl ester
TL;DR: Benzenesulfonic acid, 4-ethenyl-, methyl ester (CAS 16736-97-3) is a chemical compound with molecular formula C9H10O3S and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-ethenylbenzenesulfonate
Also Known As: methyl-p-styrenesulfonate, methyl 4-ethenylbenzenesulfonate, methyl 4-ethenylbenzene-1-sulfonate, p-Styrenesulfonic acid methyl ester, 1-ethenyl-4-methoxysulfonyl-benzene
| Molecular Formula | C9H10O3S |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 1.6647 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.03506 |
| Heavy Atoms | 13 |
| Complexity | 389.37292 |
Chemical Identifiers
| CAS Number | 16736-97-3 |
|---|---|
| SMILES | COS(=O)(=O)C1=CC=C(C=C1)C=C |
Product Overview
Benzenesulfonic acid, 4-ethenyl-, methyl ester (CAS 16736-97-3), with molecular formula C9H10O3S and molecular weight 198.04 g/mol. IUPAC: methyl 4-ethenylbenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4-ethenyl-, methyl ester
Property Insights of Benzenesulfonic acid, 4-ethenyl-, methyl ester
The XLogP value of 1.6647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-ethenyl-, methyl ester. With a topological polar surface area (TPSA) of 43.37 Ų, Benzenesulfonic acid, 4-ethenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-ethenyl-, methyl 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 Benzenesulfonic acid, 4-ethenyl-, methyl ester?
The CAS number of Benzenesulfonic acid, 4-ethenyl-, methyl ester is 16736-97-3.
What is the molecular formula of Benzenesulfonic acid, 4-ethenyl-, methyl ester?
The molecular formula of Benzenesulfonic acid, 4-ethenyl-, methyl ester is C9H10O3S.
What is the molecular weight of Benzenesulfonic acid, 4-ethenyl-, methyl ester?
The molecular weight of Benzenesulfonic acid, 4-ethenyl-, methyl ester is 198.04 g/mol.
Where can I buy Benzenesulfonic acid, 4-ethenyl-, methyl ester?
You can request a quote for Benzenesulfonic acid, 4-ethenyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-ethenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-ethenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.