Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)-
TL;DR: Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)- (CAS 205381-71-1) is a chemical compound with molecular formula C18H12F4N6 and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-amino-6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
Also Known As: Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)-, 4-[[4-amino-6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzonitrile, 4-[(4-Amino-6-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-1,3,5-triazin-2-yl)amino]benzonitrile, Benzonitrile, 4-[[4-amino-6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]-
| Molecular Formula | C18H12F4N6 |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.10596 |
| Heavy Atoms | 28 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 205381-71-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)C(F)(F)F |
| InChIKey | ZAWIWXSJNNROPQ-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)- (CAS 205381-71-1), with molecular formula C18H12F4N6 and molecular weight 388.11 g/mol. IUPAC: 4-[[4-amino-6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)-
Property Insights of Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)-
The XLogP value of 4.2 indicates that Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)-. Following Lipinski's Rule of Five, Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)- has 2 hydrogen bond donor(s) and 10 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 Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)-?
The CAS number of Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)- is 205381-71-1.
What is the molecular formula of Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)-?
The molecular formula of Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)- is C18H12F4N6.
What is the molecular weight of Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)-?
The molecular weight of Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)- is 388.11 g/mol.
Where can I buy Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)-?
You can request a quote for Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-((4-amino-6-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-1,3,5-triazin-2-yl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.