4-Trifluoromethylbenzylmethylsulfone
TL;DR: 4-Trifluoromethylbenzylmethylsulfone (CAS 40289-23-4) is a chemical compound with molecular formula C9H9F3O2S and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(methylsulfonylmethyl)-4-(trifluoromethyl)benzene
Also Known As: 4-Trifluoromethylbenzylmethylsulfone, 1-(methanesulfonylmethyl)-4-(trifluoromethyl)benzene, 1-(methylsulfonylmethyl)-4-(trifluoromethyl)benzene, 1-[(Methylsulfonyl)methyl]-4-(trifluoromethyl)benzene, 1-[(Methanesulfonyl)methyl]-4-(trifluoromethyl)benzene
| Molecular Formula | C9H9F3O2S |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | 2.25 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.02754 |
| Heavy Atoms | 15 |
| Complexity | 431.4204 |
Chemical Identifiers
| CAS Number | 40289-23-4 |
|---|---|
| SMILES | CS(=O)(=O)CC1=CC=C(C=C1)C(F)(F)F |
Product Overview
4-Trifluoromethylbenzylmethylsulfone (CAS 40289-23-4), with molecular formula C9H9F3O2S and molecular weight 238.03 g/mol. IUPAC: 1-(methylsulfonylmethyl)-4-(trifluoromethyl)benzene.
Chemical Property Profile of 4-Trifluoromethylbenzylmethylsulfone
Property Insights of 4-Trifluoromethylbenzylmethylsulfone
The XLogP value of 2.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Trifluoromethylbenzylmethylsulfone. With a topological polar surface area (TPSA) of 34.14 Ų, 4-Trifluoromethylbenzylmethylsulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Trifluoromethylbenzylmethylsulfone has 0 hydrogen bond donor(s) and 2 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 4-Trifluoromethylbenzylmethylsulfone?
The CAS number of 4-Trifluoromethylbenzylmethylsulfone is 40289-23-4.
What is the molecular formula of 4-Trifluoromethylbenzylmethylsulfone?
The molecular formula of 4-Trifluoromethylbenzylmethylsulfone is C9H9F3O2S.
What is the molecular weight of 4-Trifluoromethylbenzylmethylsulfone?
The molecular weight of 4-Trifluoromethylbenzylmethylsulfone is 238.03 g/mol.
Where can I buy 4-Trifluoromethylbenzylmethylsulfone?
You can request a quote for 4-Trifluoromethylbenzylmethylsulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Trifluoromethylbenzylmethylsulfone?
Yes, KEHONG BIO provides custom synthesis services for 4-Trifluoromethylbenzylmethylsulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.