N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
TL;DR: N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (CAS 301211-35-8) is a chemical compound with molecular formula C16H19F3N6O3 and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(4-nitrophenyl)-4-N-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
Also Known As: HCV entry inhibitor, HCV-IN-45, BAS 00121705, N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine, N2-(4-NITROPHENYL)-N4-PENTYL-6-(2,2,2-TRIFLUOROETHOXY)-1,3,5-TRIAZINE-2,4-DIAMINE
| Molecular Formula | C16H19F3N6O3 |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 4.0666 |
| Topological Polar Surface Area | 115.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 400.14706 |
| Heavy Atoms | 28 |
| Complexity | 786.18445 |
Chemical Identifiers
| CAS Number | 301211-35-8 |
|---|---|
| SMILES | CCCCCNC1=NC(=NC(=N1)OCC(F)(F)F)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (CAS 301211-35-8), with molecular formula C16H19F3N6O3 and molecular weight 400.15 g/mol. IUPAC: 2-N-(4-nitrophenyl)-4-N-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
Property Insights of N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
The XLogP value of 4.0666 indicates that N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine. Following Lipinski's Rule of Five, N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine 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 N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The CAS number of N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is 301211-35-8.
What is the molecular formula of N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The molecular formula of N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is C16H19F3N6O3.
What is the molecular weight of N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The molecular weight of N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is 400.15 g/mol.
Where can I buy N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
You can request a quote for N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine 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)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.