N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline
TL;DR: N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 5474-17-9) is a chemical compound with molecular formula C14H10F3N3O4 and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline, [2,6-dinitro-4-(trifluoromethyl)phenyl]benzylamine
| Molecular Formula | C14H10F3N3O4 |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | 4.1339 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.06235 |
| Heavy Atoms | 24 |
| Complexity | 743.5744 |
Chemical Identifiers
| CAS Number | 5474-17-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 5474-17-9), with molecular formula C14H10F3N3O4 and molecular weight 341.06 g/mol. IUPAC: N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline
Property Insights of N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline
The XLogP value of 4.1339 indicates that N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline 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-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline?
The CAS number of N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline is 5474-17-9.
What is the molecular formula of N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular formula of N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline is C14H10F3N3O4.
What is the molecular weight of N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular weight of N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline is 341.06 g/mol.
Where can I buy N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline?
You can request a quote for N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2,6-dinitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.