N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine
TL;DR: N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine (CAS 57729-98-3) is a chemical compound with molecular formula C13H6F5N3O4 and molecular weight 363.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline
Also Known As: AI3-29375, N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline, Benzenamine, N-(2,4-difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)-, N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine
| Molecular Formula | C13H6F5N3O4 |
|---|---|
| Molecular Weight | 363.03 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.02783 |
| Heavy Atoms | 25 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 57729-98-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)F)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F |
| InChIKey | KANFZLLPWYJEMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine (CAS 57729-98-3), with molecular formula C13H6F5N3O4 and molecular weight 363.03 g/mol. IUPAC: N-(2,4-difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)aniline.
Chemical Property Profile of N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine
Property Insights of N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine
The XLogP value of 4.8 indicates that N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine 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 N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine. Following Lipinski's Rule of Five, N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine has 1 hydrogen bond donor(s) and 10 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-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine?
The CAS number of N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine is 57729-98-3.
What is the molecular formula of N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine?
The molecular formula of N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine is C13H6F5N3O4.
What is the molecular weight of N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine?
The molecular weight of N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine is 363.03 g/mol.
Where can I buy N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine?
You can request a quote for N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-Difluorophenyl)-2,4-dinitro-6-(trifluoromethyl)benzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.