1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
TL;DR: 1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene (CAS 1643-97-6) is a chemical compound with molecular formula C13H11FO2S and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)sulfonyl-4-methylbenzene
Also Known As: p-Fluorophenyl-p-tolylsulfone, 1-Fluoro-4-tosylbenzene, Sulfone, p-fluorophenyl p-tolyl, p-Fluorophenyl p-tolyl sulfone, 1-(4-fluorophenyl)sulfonyl-4-methylbenzene
| Molecular Formula | C13H11FO2S |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.04637 |
| Heavy Atoms | 17 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 1643-97-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)F |
| InChIKey | PSDMTXMSQAGPPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene (CAS 1643-97-6), with molecular formula C13H11FO2S and molecular weight 250.05 g/mol. IUPAC: 1-(4-fluorophenyl)sulfonyl-4-methylbenzene.
Chemical Property Profile of 1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
Property Insights of 1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
The XLogP value of 3.2 indicates that 1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-4-((4-methylphenyl)sulphonyl)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-((4-methylphenyl)sulphonyl)benzene?
The CAS number of 1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene is 1643-97-6.
What is the molecular formula of 1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene?
The molecular formula of 1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene is C13H11FO2S.
What is the molecular weight of 1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene?
The molecular weight of 1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene is 250.05 g/mol.
Where can I buy 1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene?
You can request a quote for 1-Fluoro-4-((4-methylphenyl)sulphonyl)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-((4-methylphenyl)sulphonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.