2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline
TL;DR: 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline (CAS 17474-05-4) is a chemical compound with molecular formula C13H8F3N3O4 and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline
Also Known As: 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline, (Dinitro-trifluoromethyl-phenyl)-phenyl-amine, 4-(Trifluoromethyl)-N-phenyl-2,6-dinitroaniline, N-Phenyl-2,6-dinitro-4-(trifluoromethyl)benzene-1-amine, BENZENAMINE,2,6-DINITRO-N-PHENYL-4-(TRIFLUOROMETHYL)-
| Molecular Formula | C13H8F3N3O4 |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.0467 |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 17474-05-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | DUMAFIRAMXVMFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline (CAS 17474-05-4), with molecular formula C13H8F3N3O4 and molecular weight 327.05 g/mol. IUPAC: 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline.
Chemical Property Profile of 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline
Property Insights of 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline
The XLogP value of 4.6 indicates that 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 8 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 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline?
The CAS number of 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline is 17474-05-4.
What is the molecular formula of 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline?
The molecular formula of 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline is C13H8F3N3O4.
What is the molecular weight of 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline?
The molecular weight of 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline is 327.05 g/mol.
Where can I buy 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline?
You can request a quote for 2,6-dinitro-N-phenyl-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 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,6-dinitro-N-phenyl-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.