2-Chloroethyl 1-bromoethene-1-sulfonate
TL;DR: 2-Chloroethyl 1-bromoethene-1-sulfonate (CAS 85650-06-2) is a chemical compound with molecular formula C4H6BrClO3S and molecular weight 247.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 1-bromoethenesulfonate
Also Known As: 2-chloroethyl 1-bromoethenesulfonate, 2-Chloroethyl 1-bromoethene-1-sulfonate, 1-Bromo-1-(2-chloroethoxysulfonyl)ethene
| Molecular Formula | C4H6BrClO3S |
|---|---|
| Molecular Weight | 247.89 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.89096 |
| Heavy Atoms | 10 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 85650-06-2 |
|---|---|
| SMILES | C=C(S(=O)(=O)OCCCl)Br |
| InChIKey | QVKBYKPPSSMKIW-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl 1-bromoethene-1-sulfonate (CAS 85650-06-2), with molecular formula C4H6BrClO3S and molecular weight 247.89 g/mol. IUPAC: 2-chloroethyl 1-bromoethenesulfonate.
Chemical Property Profile of 2-Chloroethyl 1-bromoethene-1-sulfonate
Property Insights of 2-Chloroethyl 1-bromoethene-1-sulfonate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl 1-bromoethene-1-sulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Chloroethyl 1-bromoethene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 1-bromoethene-1-sulfonate 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 1-bromoethene-1-sulfonate?
The CAS number of 2-Chloroethyl 1-bromoethene-1-sulfonate is 85650-06-2.
What is the molecular formula of 2-Chloroethyl 1-bromoethene-1-sulfonate?
The molecular formula of 2-Chloroethyl 1-bromoethene-1-sulfonate is C4H6BrClO3S.
What is the molecular weight of 2-Chloroethyl 1-bromoethene-1-sulfonate?
The molecular weight of 2-Chloroethyl 1-bromoethene-1-sulfonate is 247.89 g/mol.
Where can I buy 2-Chloroethyl 1-bromoethene-1-sulfonate?
You can request a quote for 2-Chloroethyl 1-bromoethene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl 1-bromoethene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 1-bromoethene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.