Phenyl Trifluoromethyl Sulfone
TL;DR: Phenyl Trifluoromethyl Sulfone (CAS 426-58-4) is a chemical compound with molecular formula C7H5F3O2S and molecular weight 210.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trifluoromethylsulfonylbenzene
Also Known As: Phenyl trifluoromethyl sulfone, trifluoromethylsulfonylbenzene, Phenyl (trifluoromethyl) sulfone, phenyltriflate, Phenyl trifluoromethylsulfone
| Molecular Formula | C7H5F3O2S |
|---|---|
| Molecular Weight | 210.00 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.99623 |
| Heavy Atoms | 13 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 426-58-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(F)(F)F |
| InChIKey | UPGBQYFXKAKWQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl Trifluoromethyl Sulfone (CAS 426-58-4), with molecular formula C7H5F3O2S and molecular weight 210.00 g/mol. IUPAC: trifluoromethylsulfonylbenzene.
Chemical Property Profile of Phenyl Trifluoromethyl Sulfone
Property Insights of Phenyl Trifluoromethyl Sulfone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl Trifluoromethyl Sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, Phenyl Trifluoromethyl Sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl Trifluoromethyl Sulfone has 0 hydrogen bond donor(s) and 5 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 Phenyl Trifluoromethyl Sulfone?
The CAS number of Phenyl Trifluoromethyl Sulfone is 426-58-4.
What is the molecular formula of Phenyl Trifluoromethyl Sulfone?
The molecular formula of Phenyl Trifluoromethyl Sulfone is C7H5F3O2S.
What is the molecular weight of Phenyl Trifluoromethyl Sulfone?
The molecular weight of Phenyl Trifluoromethyl Sulfone is 210.00 g/mol.
Where can I buy Phenyl Trifluoromethyl Sulfone?
You can request a quote for Phenyl Trifluoromethyl Sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl Trifluoromethyl Sulfone?
Yes, KEHONG BIO provides custom synthesis services for Phenyl Trifluoromethyl Sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.