Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester
TL;DR: Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester (CAS 85650-10-8) is a chemical compound with molecular formula C11H15ClO3S and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 2,4,6-trimethylbenzenesulfonate
Also Known As: 2-chloroethyl 2,4,6-trimethylbenzenesulfonate, Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester, 2-Chloroethyl 2,4,6-trimethylbenzene-1-sulfonate, Benzenesulfonic acid,2,4,6-trimethyl-,2-chloroethyl ester
| Molecular Formula | C11H15ClO3S |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.04303 |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 85650-10-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)OCCCl)C |
| InChIKey | YUGYVJZSOQHHFC-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester (CAS 85650-10-8), with molecular formula C11H15ClO3S and molecular weight 262.04 g/mol. IUPAC: 2-chloroethyl 2,4,6-trimethylbenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester
Property Insights of Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester. With a topological polar surface area (TPSA) of 51.8 Ų, Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonic acid, 2,4,6-trimethyl-, 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 Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester?
The CAS number of Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester is 85650-10-8.
What is the molecular formula of Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester?
The molecular formula of Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester is C11H15ClO3S.
What is the molecular weight of Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester?
The molecular weight of Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester is 262.04 g/mol.
Where can I buy Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester?
You can request a quote for Benzenesulfonic acid, 2,4,6-trimethyl-, 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 Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 2,4,6-trimethyl-, 2-chloroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.