2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide
TL;DR: 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide (CAS 301232-80-4) is a chemical compound with molecular formula C17H15F3N4O5 and molecular weight 412.10 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]-N-propan-2-ylbenzamide
Also Known As: F0322-0031, 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide, 2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}-N-(propan-2-yl)benzamide, 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-N-propan-2-ylbenzamide, N-isopropylo-[2,6-dinitro-4-(trifluoromethyl)phenylamino]benzamide
| Molecular Formula | C17H15F3N4O5 |
|---|---|
| Molecular Weight | 412.10 g/mol |
| LogP | 4.4036 |
| Topological Polar Surface Area | 127.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.09946 |
| Heavy Atoms | 29 |
| Complexity | 940.7761 |
Chemical Identifiers
| CAS Number | 301232-80-4 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide (CAS 301232-80-4), with molecular formula C17H15F3N4O5 and molecular weight 412.10 g/mol. IUPAC: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-N-propan-2-ylbenzamide.
Chemical Property Profile of 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide
Property Insights of 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide
The XLogP value of 4.4036 indicates that 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide. Following Lipinski's Rule of Five, 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide has 2 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 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide?
The CAS number of 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide is 301232-80-4.
What is the molecular formula of 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide?
The molecular formula of 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide is C17H15F3N4O5.
What is the molecular weight of 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide?
The molecular weight of 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide is 412.10 g/mol.
Where can I buy 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide?
You can request a quote for 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide 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)-N-isopropylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)amino)-N-isopropylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.