1-Fluoro-4-(2-methylsulfonylethenyl)benzene
TL;DR: 1-Fluoro-4-(2-methylsulfonylethenyl)benzene (CAS 77355-30-7) is a chemical compound with molecular formula C9H9FO2S and molecular weight 200.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-(2-methylsulfonylethenyl)benzene
Also Known As: 1-fluoro-4-[(E)-2-methylsulfonylethenyl]benzene, Benzene, 1-fluoro-4-(2-(methylsulfonyl)ethenyl)-
| Molecular Formula | C9H9FO2S |
|---|---|
| Molecular Weight | 200.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.03073 |
| Heavy Atoms | 13 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 77355-30-7 |
|---|---|
| SMILES | CS(=O)(=O)C=CC1=CC=C(C=C1)F |
| InChIKey | BVHVFJXAWQEDKJ-UHFFFAOYSA-N |
Product Overview
1-Fluoro-4-(2-methylsulfonylethenyl)benzene (CAS 77355-30-7), with molecular formula C9H9FO2S and molecular weight 200.03 g/mol. IUPAC: 1-fluoro-4-(2-methylsulfonylethenyl)benzene.
Chemical Property Profile of 1-Fluoro-4-(2-methylsulfonylethenyl)benzene
Property Insights of 1-Fluoro-4-(2-methylsulfonylethenyl)benzene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-4-(2-methylsulfonylethenyl)benzene. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Fluoro-4-(2-methylsulfonylethenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-4-(2-methylsulfonylethenyl)benzene 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 1-Fluoro-4-(2-methylsulfonylethenyl)benzene?
The CAS number of 1-Fluoro-4-(2-methylsulfonylethenyl)benzene is 77355-30-7.
What is the molecular formula of 1-Fluoro-4-(2-methylsulfonylethenyl)benzene?
The molecular formula of 1-Fluoro-4-(2-methylsulfonylethenyl)benzene is C9H9FO2S.
What is the molecular weight of 1-Fluoro-4-(2-methylsulfonylethenyl)benzene?
The molecular weight of 1-Fluoro-4-(2-methylsulfonylethenyl)benzene is 200.03 g/mol.
Where can I buy 1-Fluoro-4-(2-methylsulfonylethenyl)benzene?
You can request a quote for 1-Fluoro-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-Fluoro-4-(2-methylsulfonylethenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-4-(2-methylsulfonylethenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.