2-(Methylsulfonyl)-5-(trifluoromethyl)aniline
TL;DR: 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline (CAS 402-19-7) is a chemical compound with molecular formula C8H8F3NO2S and molecular weight 239.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonyl-5-(trifluoromethyl)aniline
Also Known As: 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline, Cyclohexylurea, 2-methylsulfonyl-5-(trifluoromethyl)aniline, 2-methanesulfonyl-5-(trifluoromethyl)aniline, Benzenamine,2-(methylsulfonyl)-5-(trifluoromethyl)-
| Molecular Formula | C8H8F3NO2S |
|---|---|
| Molecular Weight | 239.02 g/mol |
| LogP | 1.6911 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.02278 |
| Heavy Atoms | 15 |
| Complexity | 479.15042 |
Chemical Identifiers
| CAS Number | 402-19-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=C(C=C1)C(F)(F)F)N |
Product Overview
2-(Methylsulfonyl)-5-(trifluoromethyl)aniline (CAS 402-19-7), with molecular formula C8H8F3NO2S and molecular weight 239.02 g/mol. IUPAC: 2-methylsulfonyl-5-(trifluoromethyl)aniline.
Chemical Property Profile of 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline
Property Insights of 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline
The XLogP value of 1.6911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline has 1 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)-5-(trifluoromethyl)aniline?
The CAS number of 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline is 402-19-7.
What is the molecular formula of 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline?
The molecular formula of 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline is C8H8F3NO2S.
What is the molecular weight of 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline?
The molecular weight of 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline is 239.02 g/mol.
Where can I buy 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline?
You can request a quote for 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfonyl)-5-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.