2-Chloroethyl ethanesulfonate
TL;DR: 2-Chloroethyl ethanesulfonate (CAS 7153-06-2) is a chemical compound with molecular formula C4H9ClO3S and molecular weight 172.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl ethanesulfonate
Also Known As: 2-chloroethyl ethanesulfonate, Ethanesulfonic acid, 2-chloroethyl ester
| Molecular Formula | C4H9ClO3S |
|---|---|
| Molecular Weight | 172.00 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 171.9961 |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 7153-06-2 |
|---|---|
| SMILES | CCS(=O)(=O)OCCCl |
| InChIKey | XTXJHTNIZBOSNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl ethanesulfonate (CAS 7153-06-2), with molecular formula C4H9ClO3S and molecular weight 172.00 g/mol. IUPAC: 2-chloroethyl ethanesulfonate.
Chemical Property Profile of 2-Chloroethyl ethanesulfonate
Property Insights of 2-Chloroethyl ethanesulfonate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl ethanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Chloroethyl ethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl ethanesulfonate 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 ethanesulfonate?
The CAS number of 2-Chloroethyl ethanesulfonate is 7153-06-2.
What is the molecular formula of 2-Chloroethyl ethanesulfonate?
The molecular formula of 2-Chloroethyl ethanesulfonate is C4H9ClO3S.
What is the molecular weight of 2-Chloroethyl ethanesulfonate?
The molecular weight of 2-Chloroethyl ethanesulfonate is 172.00 g/mol.
Where can I buy 2-Chloroethyl ethanesulfonate?
You can request a quote for 2-Chloroethyl ethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl ethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl ethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.