2-Chloroethyl 2-methylbenzenesulphonate
TL;DR: 2-Chloroethyl 2-methylbenzenesulphonate (CAS 97721-72-7) is a chemical compound with molecular formula C9H11ClO3S and molecular weight 234.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 2-methylbenzenesulfonate
Also Known As: 2-chloroethyl 2-methylbenzenesulfonate, 2-Chloroethyl 2-methylbenzenesulphonate, beta-chloroethyltoluenesulfonate, 2-chloroethyl2-methylbenzenesulphonate, 2-chloroethyl 2-methylbenzene-1-sulfonate
| Molecular Formula | C9H11ClO3S |
|---|---|
| Molecular Weight | 234.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.01175 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 97721-72-7 |
|---|---|
| SMILES | CC1=CC=CC=C1S(=O)(=O)OCCCl |
| InChIKey | HMIYUOHGRSXXEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl 2-methylbenzenesulphonate (CAS 97721-72-7), with molecular formula C9H11ClO3S and molecular weight 234.01 g/mol. IUPAC: 2-chloroethyl 2-methylbenzenesulfonate.
Chemical Property Profile of 2-Chloroethyl 2-methylbenzenesulphonate
Property Insights of 2-Chloroethyl 2-methylbenzenesulphonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl 2-methylbenzenesulphonate. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Chloroethyl 2-methylbenzenesulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 2-methylbenzenesulphonate 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 2-Chloroethyl 2-methylbenzenesulphonate?
The CAS number of 2-Chloroethyl 2-methylbenzenesulphonate is 97721-72-7.
What is the molecular formula of 2-Chloroethyl 2-methylbenzenesulphonate?
The molecular formula of 2-Chloroethyl 2-methylbenzenesulphonate is C9H11ClO3S.
What is the molecular weight of 2-Chloroethyl 2-methylbenzenesulphonate?
The molecular weight of 2-Chloroethyl 2-methylbenzenesulphonate is 234.01 g/mol.
Where can I buy 2-Chloroethyl 2-methylbenzenesulphonate?
You can request a quote for 2-Chloroethyl 2-methylbenzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl 2-methylbenzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 2-methylbenzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.