2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate
TL;DR: 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate (CAS 85650-08-4) is a chemical compound with molecular formula C10H10ClNO5S and molecular weight 291.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 2-(4-nitrophenyl)ethenesulfonate
Also Known As: 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate, 2-chloroethyl 2-(4-nitrophenyl)ethenesulfonate, 2-chloroethyl (Z)-2-(4-nitrophenyl)ethenesulfonate
| Molecular Formula | C10H10ClNO5S |
|---|---|
| Molecular Weight | 291.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.99683 |
| Heavy Atoms | 18 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 85650-08-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CS(=O)(=O)OCCCl)[N+](=O)[O-] |
| InChIKey | MMBOVRTWJOFSMN-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate (CAS 85650-08-4), with molecular formula C10H10ClNO5S and molecular weight 291.00 g/mol. IUPAC: 2-chloroethyl 2-(4-nitrophenyl)ethenesulfonate.
Chemical Property Profile of 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate
Property Insights of 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate. Following Lipinski's Rule of Five, 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate has 0 hydrogen bond donor(s) and 5 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-(4-nitrophenyl)ethene-1-sulfonate?
The CAS number of 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate is 85650-08-4.
What is the molecular formula of 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate?
The molecular formula of 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate is C10H10ClNO5S.
What is the molecular weight of 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate?
The molecular weight of 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate is 291.00 g/mol.
Where can I buy 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate?
You can request a quote for 2-Chloroethyl 2-(4-nitrophenyl)ethene-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 2-(4-nitrophenyl)ethene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 2-(4-nitrophenyl)ethene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.