1-Chloro-4-(2-methylsulfonylethenyl)benzene
TL;DR: 1-Chloro-4-(2-methylsulfonylethenyl)benzene (CAS 70784-97-3) is a chemical compound with molecular formula C9H9ClO2S and molecular weight 216.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-(2-methylsulfonylethenyl)benzene
Also Known As: 1-chloro-4-[(E)-2-(methylsulfonyl)ethenyl]benzene
| Molecular Formula | C9H9ClO2S |
|---|---|
| Molecular Weight | 216.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.00117 |
| Heavy Atoms | 13 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 70784-97-3 |
|---|---|
| SMILES | CS(=O)(=O)C=CC1=CC=C(C=C1)Cl |
| InChIKey | KGARFKLLCJQQEZ-UHFFFAOYSA-N |
Product Overview
1-Chloro-4-(2-methylsulfonylethenyl)benzene (CAS 70784-97-3), with molecular formula C9H9ClO2S and molecular weight 216.00 g/mol. IUPAC: 1-chloro-4-(2-methylsulfonylethenyl)benzene.
Chemical Property Profile of 1-Chloro-4-(2-methylsulfonylethenyl)benzene
Property Insights of 1-Chloro-4-(2-methylsulfonylethenyl)benzene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-(2-methylsulfonylethenyl)benzene. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Chloro-4-(2-methylsulfonylethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-(2-methylsulfonylethenyl)benzene has 0 hydrogen bond donor(s) and 2 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 1-Chloro-4-(2-methylsulfonylethenyl)benzene?
The CAS number of 1-Chloro-4-(2-methylsulfonylethenyl)benzene is 70784-97-3.
What is the molecular formula of 1-Chloro-4-(2-methylsulfonylethenyl)benzene?
The molecular formula of 1-Chloro-4-(2-methylsulfonylethenyl)benzene is C9H9ClO2S.
What is the molecular weight of 1-Chloro-4-(2-methylsulfonylethenyl)benzene?
The molecular weight of 1-Chloro-4-(2-methylsulfonylethenyl)benzene is 216.00 g/mol.
Where can I buy 1-Chloro-4-(2-methylsulfonylethenyl)benzene?
You can request a quote for 1-Chloro-4-(2-methylsulfonylethenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-(2-methylsulfonylethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-(2-methylsulfonylethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.