2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone
TL;DR: 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone (CAS 118289-07-9) is a chemical compound with molecular formula C10H9F3O3S and molecular weight 266.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanone
Also Known As: 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone, 3-(methylsulphonylacetyl)benzotrifluoride, 2,4,6-Trifluorobenzyl alcohol, 2-Hydroxy-2-methyl-adipinsaeure, 1-[3-(trifluoromethyl)benzoyl]dimethylsulfone
| Molecular Formula | C10H9F3O3S |
|---|---|
| Molecular Weight | 266.02 g/mol |
| LogP | 1.9327 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.02246 |
| Heavy Atoms | 17 |
| Complexity | 531.9722 |
Chemical Identifiers
| CAS Number | 118289-07-9 |
|---|---|
| SMILES | CS(=O)(=O)CC(=O)C1=CC(=CC=C1)C(F)(F)F |
Product Overview
2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone (CAS 118289-07-9), with molecular formula C10H9F3O3S and molecular weight 266.02 g/mol. IUPAC: 2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanone.
Chemical Property Profile of 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone
Property Insights of 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone
The XLogP value of 1.9327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone. With a topological polar surface area (TPSA) of 51.21 Ų, 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone 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 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone?
The CAS number of 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone is 118289-07-9.
What is the molecular formula of 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone?
The molecular formula of 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone is C10H9F3O3S.
What is the molecular weight of 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone?
The molecular weight of 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone is 266.02 g/mol.
Where can I buy 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone?
You can request a quote for 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.