N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline
TL;DR: N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 321683-97-0) is a chemical compound with molecular formula C15H11F3N4O7 and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline, AB00684165-01, F0322-0017, N-(4-ethoxy-2-nitro-phenyl)-2,6-dinitro-4-(trifluoromethyl)aniline, 1-(4-ethoxy-2-nitrophenylamino)-2,6-dinitro-4-(trifluoromethyl)benzene
| Molecular Formula | C15H11F3N4O7 |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 4.5723 |
| Topological Polar Surface Area | 150.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.05798 |
| Heavy Atoms | 29 |
| Complexity | 959.35583 |
Chemical Identifiers
| CAS Number | 321683-97-0 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline (CAS 321683-97-0), with molecular formula C15H11F3N4O7 and molecular weight 416.06 g/mol. IUPAC: N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline
Property Insights of N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline
The XLogP value of 4.5723 indicates that N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.68 Ų indicates high polarity, suggesting N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-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 N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The CAS number of N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline is 321683-97-0.
What is the molecular formula of N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular formula of N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline is C15H11F3N4O7.
What is the molecular weight of N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
The molecular weight of N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline is 416.06 g/mol.
Where can I buy N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
You can request a quote for N-(4-ethoxy-2-nitrophenyl)-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-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-ethoxy-2-nitrophenyl)-2,6-dinitro-4-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.