2-Chloroethyl chloromethanesulfonate
TL;DR: 2-Chloroethyl chloromethanesulfonate (CAS 41239-85-4) is a chemical compound with molecular formula C3H6Cl2O3S and molecular weight 191.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl chloromethanesulfonate
Also Known As: 2-chloroethyl chloromethanesulfonate, Methanesulfonic acid, 2-chloroethyl ester, 1-chloro-2-chloromethanesulfonyloxy-ethane, Methanesulfonic acid, chloro-, 2-chloroethyl ester, 1-CHLORO-2-(CHLOROMETHYLSULFONYLOXY)ETHANE
| Molecular Formula | C3H6Cl2O3S |
|---|---|
| Molecular Weight | 191.94 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.94147 |
| Heavy Atoms | 9 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 41239-85-4 |
|---|---|
| SMILES | C(CCl)OS(=O)(=O)CCl |
| InChIKey | BYEULZSQJFKHIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl chloromethanesulfonate (CAS 41239-85-4), with molecular formula C3H6Cl2O3S and molecular weight 191.94 g/mol. IUPAC: 2-chloroethyl chloromethanesulfonate.
Chemical Property Profile of 2-Chloroethyl chloromethanesulfonate
Property Insights of 2-Chloroethyl chloromethanesulfonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl chloromethanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Chloroethyl chloromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl chloromethanesulfonate 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 chloromethanesulfonate?
The CAS number of 2-Chloroethyl chloromethanesulfonate is 41239-85-4.
What is the molecular formula of 2-Chloroethyl chloromethanesulfonate?
The molecular formula of 2-Chloroethyl chloromethanesulfonate is C3H6Cl2O3S.
What is the molecular weight of 2-Chloroethyl chloromethanesulfonate?
The molecular weight of 2-Chloroethyl chloromethanesulfonate is 191.94 g/mol.
Where can I buy 2-Chloroethyl chloromethanesulfonate?
You can request a quote for 2-Chloroethyl chloromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl chloromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl chloromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.