N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine
TL;DR: N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine (CAS 369-90-4) is a chemical compound with molecular formula C13H9F3N2O2 and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-nitrophenyl)-3-(trifluoromethyl)aniline
Also Known As: Fluazolate, N-(4-NITROPHENYL)-3-(TRIFLUOROMETHYL)BENZENAMINE, N-(4-nitrophenyl)-3-(trifluoromethyl)aniline, 4-nitro-N-[3-(trifluoromethyl)phenyl]aniline, J1.482.155D
| Molecular Formula | C13H9F3N2O2 |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0616 |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 369-90-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F |
| InChIKey | UDHNPQBBLGONPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine (CAS 369-90-4), with molecular formula C13H9F3N2O2 and molecular weight 282.06 g/mol. IUPAC: N-(4-nitrophenyl)-3-(trifluoromethyl)aniline.
Chemical Property Profile of N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine
Property Insights of N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine
The XLogP value of 4.2 indicates that N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine has 1 hydrogen bond donor(s) and 6 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-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine?
The CAS number of N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine is 369-90-4.
What is the molecular formula of N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine?
The molecular formula of N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine is C13H9F3N2O2.
What is the molecular weight of N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine?
The molecular weight of N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine is 282.06 g/mol.
Where can I buy N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine?
You can request a quote for N-(4-Nitrophenyl)-3-(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-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Nitrophenyl)-3-(trifluoromethyl)benzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.