2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol
TL;DR: 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol (CAS 294647-68-0) 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.
2-[2,6-dinitro-4-(trifluoromethyl)anilino]-1-(4-nitrophenyl)ethanol
Also Known As: BAS 00113814, 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol, F0322-0016, 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-1-(4-nitrophenyl)ethanol, 2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}-1-(4-nitrophenyl)ethan-1-ol
| Molecular Formula | C15H11F3N4O7 |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 3.5755 |
| Topological Polar Surface Area | 161.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.05798 |
| Heavy Atoms | 29 |
| Complexity | 928.3678 |
Chemical Identifiers
| CAS Number | 294647-68-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])O)[N+](=O)[O-] |
Product Overview
2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol (CAS 294647-68-0), with molecular formula C15H11F3N4O7 and molecular weight 416.06 g/mol. IUPAC: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-1-(4-nitrophenyl)ethanol.
Chemical Property Profile of 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol
Property Insights of 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol
The XLogP value of 3.5755 indicates that 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.68 Ų indicates high polarity, suggesting 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol has 2 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-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol?
The CAS number of 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol is 294647-68-0.
What is the molecular formula of 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol?
The molecular formula of 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol is C15H11F3N4O7.
What is the molecular weight of 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol?
The molecular weight of 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol is 416.06 g/mol.
Where can I buy 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol?
You can request a quote for 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,6-Dinitro-4-(trifluoromethyl)phenyl)amino)-1-(4-nitrophenyl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.