2-Chloroethyl 2-phenylethenesulfonate
TL;DR: 2-Chloroethyl 2-phenylethenesulfonate (CAS 85650-07-3) is a chemical compound with molecular formula C10H11ClO3S and molecular weight 246.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 2-phenylethenesulfonate
Also Known As: 2-chloroethyl 2-phenylethenesulfonate, 2-chloroethyl (E)-2-phenylethenesulfonate
| Molecular Formula | C10H11ClO3S |
|---|---|
| Molecular Weight | 246.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.01175 |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 85650-07-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CS(=O)(=O)OCCCl |
| InChIKey | XRFPTEQKLORANT-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl 2-phenylethenesulfonate (CAS 85650-07-3), with molecular formula C10H11ClO3S and molecular weight 246.01 g/mol. IUPAC: 2-chloroethyl 2-phenylethenesulfonate.
Chemical Property Profile of 2-Chloroethyl 2-phenylethenesulfonate
Property Insights of 2-Chloroethyl 2-phenylethenesulfonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl 2-phenylethenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Chloroethyl 2-phenylethenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 2-phenylethenesulfonate 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-phenylethenesulfonate?
The CAS number of 2-Chloroethyl 2-phenylethenesulfonate is 85650-07-3.
What is the molecular formula of 2-Chloroethyl 2-phenylethenesulfonate?
The molecular formula of 2-Chloroethyl 2-phenylethenesulfonate is C10H11ClO3S.
What is the molecular weight of 2-Chloroethyl 2-phenylethenesulfonate?
The molecular weight of 2-Chloroethyl 2-phenylethenesulfonate is 246.01 g/mol.
Where can I buy 2-Chloroethyl 2-phenylethenesulfonate?
You can request a quote for 2-Chloroethyl 2-phenylethenesulfonate 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-phenylethenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 2-phenylethenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.