Benzene, 1-fluoro-3-(phenylsulfonyl)-
TL;DR: Benzene, 1-fluoro-3-(phenylsulfonyl)- (CAS 40154-94-7) 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)-3-fluorobenzene
Also Known As: m-fluorophenyl phenyl sulfone, 3-Fluorodiphenyl sulphone, benzene, 1-fluoro-3-(phenylsulfonyl)-, 1-fluoro-3-(phenylsulfonyl)benzene, 1-(benzenesulfonyl)-3-fluorobenzene
| Molecular Formula | C12H9FO2S |
|---|---|
| Molecular Weight | 236.03 g/mol |
| LogP | 2.5 |
| 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 | 314.0 |
Chemical Identifiers
| CAS Number | 40154-94-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)F |
| InChIKey | AWSDRTWHWRRVHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-fluoro-3-(phenylsulfonyl)- (CAS 40154-94-7), with molecular formula C12H9FO2S and molecular weight 236.03 g/mol. IUPAC: 1-(benzenesulfonyl)-3-fluorobenzene.
Chemical Property Profile of Benzene, 1-fluoro-3-(phenylsulfonyl)-
Property Insights of Benzene, 1-fluoro-3-(phenylsulfonyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-fluoro-3-(phenylsulfonyl)-. With a topological polar surface area (TPSA) of 42.5 Ų, Benzene, 1-fluoro-3-(phenylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-fluoro-3-(phenylsulfonyl)- 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 Benzene, 1-fluoro-3-(phenylsulfonyl)-?
The CAS number of Benzene, 1-fluoro-3-(phenylsulfonyl)- is 40154-94-7.
What is the molecular formula of Benzene, 1-fluoro-3-(phenylsulfonyl)-?
The molecular formula of Benzene, 1-fluoro-3-(phenylsulfonyl)- is C12H9FO2S.
What is the molecular weight of Benzene, 1-fluoro-3-(phenylsulfonyl)-?
The molecular weight of Benzene, 1-fluoro-3-(phenylsulfonyl)- is 236.03 g/mol.
Where can I buy Benzene, 1-fluoro-3-(phenylsulfonyl)-?
You can request a quote for Benzene, 1-fluoro-3-(phenylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-fluoro-3-(phenylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-fluoro-3-(phenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.