2-Chloroethyl cyanomethanesulfonate
TL;DR: 2-Chloroethyl cyanomethanesulfonate (CAS 85650-19-7) is a chemical compound with molecular formula C4H6ClNO3S and molecular weight 182.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl cyanomethanesulfonate
Also Known As: 2-chloroethyl cyanomethanesulfonate, Methanesulfonic acid, 2-chloroethyl ester
| Molecular Formula | C4H6ClNO3S |
|---|---|
| Molecular Weight | 182.98 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.9757 |
| Heavy Atoms | 10 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 85650-19-7 |
|---|---|
| SMILES | C(CCl)OS(=O)(=O)CC#N |
| InChIKey | HLZXGRIYSLIJKV-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl cyanomethanesulfonate (CAS 85650-19-7), with molecular formula C4H6ClNO3S and molecular weight 182.98 g/mol. IUPAC: 2-chloroethyl cyanomethanesulfonate.
Chemical Property Profile of 2-Chloroethyl cyanomethanesulfonate
Property Insights of 2-Chloroethyl cyanomethanesulfonate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl cyanomethanesulfonate. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroethyl cyanomethanesulfonate. Following Lipinski's Rule of Five, 2-Chloroethyl cyanomethanesulfonate has 0 hydrogen bond donor(s) and 4 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 cyanomethanesulfonate?
The CAS number of 2-Chloroethyl cyanomethanesulfonate is 85650-19-7.
What is the molecular formula of 2-Chloroethyl cyanomethanesulfonate?
The molecular formula of 2-Chloroethyl cyanomethanesulfonate is C4H6ClNO3S.
What is the molecular weight of 2-Chloroethyl cyanomethanesulfonate?
The molecular weight of 2-Chloroethyl cyanomethanesulfonate is 182.98 g/mol.
Where can I buy 2-Chloroethyl cyanomethanesulfonate?
You can request a quote for 2-Chloroethyl cyanomethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl cyanomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl cyanomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.