4-Trifluoromethylphenylmethylsulfone
TL;DR: 4-Trifluoromethylphenylmethylsulfone (CAS 145963-48-0) is a chemical compound with molecular formula C8H7F3O2S and molecular weight 224.01189 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methylsulfonyl-4-(trifluoromethyl)benzene
Also Known As: 4-trifluoromethylphenylmethylsulfone, 1-(Methylsulfonyl)-4-(trifluoromethyl)benzene, 4-(Trifluoromethyl)phenyl methyl sulfone, 1-methylsulfonyl-4-(trifluoromethyl)benzene, Benzene, 1-(methylsulfonyl)-4-(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C8H7F3O2S |
| Molecular Weight | 224.01189 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.01189 Da |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F |
| InChIKey | JKBCENKBTQPCCH-UHFFFAOYSA-N |
Chemical Property Profile of 4-Trifluoromethylphenylmethylsulfone
Property Insights of 4-Trifluoromethylphenylmethylsulfone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Trifluoromethylphenylmethylsulfone. With a topological polar surface area (TPSA) of 42.5 Ų, 4-Trifluoromethylphenylmethylsulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Trifluoromethylphenylmethylsulfone 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
What is the CAS number of 4-Trifluoromethylphenylmethylsulfone?
The CAS number of 4-Trifluoromethylphenylmethylsulfone is 145963-48-0.
What is the molecular formula of 4-Trifluoromethylphenylmethylsulfone?
The molecular formula of 4-Trifluoromethylphenylmethylsulfone is C8H7F3O2S.
What is the molecular weight of 4-Trifluoromethylphenylmethylsulfone?
The molecular weight of 4-Trifluoromethylphenylmethylsulfone is 224.01189 g/mol.
Where can I buy 4-Trifluoromethylphenylmethylsulfone?
You can request a quote for 4-Trifluoromethylphenylmethylsulfone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Trifluoromethylphenylmethylsulfone?
Yes, CoreyChem provides custom synthesis services for 4-Trifluoromethylphenylmethylsulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.