1-Fluoro-4-(phenylsulphonyl)benzene
TL;DR: 1-Fluoro-4-(phenylsulphonyl)benzene (CAS 312-31-2) is a chemical compound with molecular formula C12H9FO2S and molecular weight 236.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-fluorobenzene
Also Known As: 1-Fluoro-4-(phenylsulphonyl)benzene, 1-Fluoro-4-(phenylsulfonyl)benzene, 1-(benzenesulfonyl)-4-fluorobenzene, p-Fluordiphenylsulfon, 4-Fluorophenyl phenyl sulfone
| Molecular Formula | C12H9FO2S |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.03073 |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 312-31-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)F |
| InChIKey | MONGUDQJUIVFPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Fluoro-4-(phenylsulphonyl)benzene (CAS 312-31-2), with molecular formula C12H9FO2S and molecular weight 236.03 g/mol. IUPAC: 1-(benzenesulfonyl)-4-fluorobenzene.
Chemical Property Profile of 1-Fluoro-4-(phenylsulphonyl)benzene
Property Insights of 1-Fluoro-4-(phenylsulphonyl)benzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-4-(phenylsulphonyl)benzene. With a topological polar surface area (TPSA) of 42.5 Ų, 1-Fluoro-4-(phenylsulphonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-4-(phenylsulphonyl)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-(phenylsulphonyl)benzene?
The CAS number of 1-Fluoro-4-(phenylsulphonyl)benzene is 312-31-2.
What is the molecular formula of 1-Fluoro-4-(phenylsulphonyl)benzene?
The molecular formula of 1-Fluoro-4-(phenylsulphonyl)benzene is C12H9FO2S.
What is the molecular weight of 1-Fluoro-4-(phenylsulphonyl)benzene?
The molecular weight of 1-Fluoro-4-(phenylsulphonyl)benzene is 236.03 g/mol.
Where can I buy 1-Fluoro-4-(phenylsulphonyl)benzene?
You can request a quote for 1-Fluoro-4-(phenylsulphonyl)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-(phenylsulphonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-4-(phenylsulphonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.