N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline
TL;DR: N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline (CAS 1579-87-9) is a chemical compound with molecular formula C9H9F3N2O4S and molecular weight 298.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-2-nitro-4-(trifluoromethylsulfonyl)aniline
Also Known As: N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline, N-ethyl-2-nitro-4-(trifluoromethylsulfonyl)aniline, BAS 00383086, Ethyl-(2-nitro-4-trifluoromethanesulfonyl-phenyl)-amine, N-ethyl-2-nitro-4-((trifluoromethyl)sulfonyl)aniline
| Molecular Formula | C9H9F3N2O4S |
|---|---|
| Molecular Weight | 298.02 g/mol |
| LogP | 2.3201 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.0235 |
| Heavy Atoms | 19 |
| Complexity | 597.97253 |
Chemical Identifiers
| CAS Number | 1579-87-9 |
|---|---|
| SMILES | CCNC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] |
Product Overview
N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline (CAS 1579-87-9), with molecular formula C9H9F3N2O4S and molecular weight 298.02 g/mol. IUPAC: N-ethyl-2-nitro-4-(trifluoromethylsulfonyl)aniline.
Chemical Property Profile of N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline
Property Insights of N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline
The XLogP value of 2.3201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline. Following Lipinski's Rule of Five, N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline has 1 hydrogen bond donor(s) and 5 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-2-nitro-4-trifluoromethanesulfonylaniline?
The CAS number of N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline is 1579-87-9.
What is the molecular formula of N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline?
The molecular formula of N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline is C9H9F3N2O4S.
What is the molecular weight of N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline?
The molecular weight of N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline is 298.02 g/mol.
Where can I buy N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline?
You can request a quote for N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.