N-ethyl-4-(trifluoromethylsulfonyl)aniline
TL;DR: N-ethyl-4-(trifluoromethylsulfonyl)aniline (CAS 240490-01-1) is a chemical compound with molecular formula C9H10F3NO2S and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-(trifluoromethylsulfonyl)aniline
Also Known As: 4- -N-ethylaniline, N-ethyl-4-trifluoromethanesulfonylaniline, N-ethyl-4-(trifluoromethylsulfonyl)aniline, 4-(Trifluoromethylsulfonyl)-N-ethylaniline, 4-(Trifluoromethylsulphonyl)-N-ethylaniline
| Molecular Formula | C9H10F3NO2S |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 2.4119 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.03844 |
| Heavy Atoms | 16 |
| Complexity | 450.6376 |
Chemical Identifiers
| CAS Number | 240490-01-1 |
|---|---|
| SMILES | CCNC1=CC=C(C=C1)S(=O)(=O)C(F)(F)F |
Product Overview
N-ethyl-4-(trifluoromethylsulfonyl)aniline (CAS 240490-01-1), with molecular formula C9H10F3NO2S and molecular weight 253.04 g/mol. IUPAC: N-ethyl-4-(trifluoromethylsulfonyl)aniline.
Chemical Property Profile of N-ethyl-4-(trifluoromethylsulfonyl)aniline
Property Insights of N-ethyl-4-(trifluoromethylsulfonyl)aniline
The XLogP value of 2.4119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-4-(trifluoromethylsulfonyl)aniline. With a topological polar surface area (TPSA) of 46.17 Ų, N-ethyl-4-(trifluoromethylsulfonyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-4-(trifluoromethylsulfonyl)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 N-ethyl-4-(trifluoromethylsulfonyl)aniline?
The CAS number of N-ethyl-4-(trifluoromethylsulfonyl)aniline is 240490-01-1.
What is the molecular formula of N-ethyl-4-(trifluoromethylsulfonyl)aniline?
The molecular formula of N-ethyl-4-(trifluoromethylsulfonyl)aniline is C9H10F3NO2S.
What is the molecular weight of N-ethyl-4-(trifluoromethylsulfonyl)aniline?
The molecular weight of N-ethyl-4-(trifluoromethylsulfonyl)aniline is 253.04 g/mol.
Where can I buy N-ethyl-4-(trifluoromethylsulfonyl)aniline?
You can request a quote for N-ethyl-4-(trifluoromethylsulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-4-(trifluoromethylsulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-4-(trifluoromethylsulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.