1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene
TL;DR: 1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene (CAS 87750-51-4) is a chemical compound with molecular formula C8H7F3O3S and molecular weight 240.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonyl-4-(trifluoromethoxy)benzene
Also Known As: 1-(methylsulfonyl)-4-(trifluoromethoxy)benzene, 4-(Trifluoromethoxy)phenyl methyl sulfone, 3-chloro-2-methylacetanilide, 4- PHENYLMETHYLSULFONE, 4-(trifluoromethoxy)phenyl methyl sulphone
| Molecular Formula | C8H7F3O3S |
|---|---|
| Molecular Weight | 240.01 g/mol |
| LogP | 1.9887 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.0068 |
| Heavy Atoms | 15 |
| Complexity | 433.19485 |
Chemical Identifiers
| CAS Number | 87750-51-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)OC(F)(F)F |
Product Overview
1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene (CAS 87750-51-4), with molecular formula C8H7F3O3S and molecular weight 240.01 g/mol. IUPAC: 1-methylsulfonyl-4-(trifluoromethoxy)benzene.
Chemical Property Profile of 1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene
Property Insights of 1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene
The XLogP value of 1.9887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene. With a topological polar surface area (TPSA) of 43.37 Ų, 1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Methanesulfonyl)-4-(trifluoromethoxy)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-(Methanesulfonyl)-4-(trifluoromethoxy)benzene?
The CAS number of 1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene is 87750-51-4.
What is the molecular formula of 1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene?
The molecular formula of 1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene is C8H7F3O3S.
What is the molecular weight of 1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene?
The molecular weight of 1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene is 240.01 g/mol.
Where can I buy 1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene?
You can request a quote for 1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methanesulfonyl)-4-(trifluoromethoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.