(E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine
TL;DR: (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine (CAS 354774-67-7) is a chemical compound with molecular formula C13H8ClFN6O and molecular weight 318.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine, 1-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine, 4-[4-((1E)-2-(1,2,4-triazol-4-yl)-2-azavinyl)phenoxy]-2-chloro-5-fluoropyrimid ine, (E)-1-{4-[(2-CHLORO-5-FLUOROPYRIMIDIN-4-YL)OXY]PHENYL}-N-(4H-1,2,4-TRIAZOL-4-YL)METHANIMINE, N-[(E)-{4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C13H8ClFN6O |
|---|---|
| Molecular Weight | 318.04 g/mol |
| LogP | 2.5351 |
| Topological Polar Surface Area | 78.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.0432 |
| Heavy Atoms | 22 |
| Complexity | 790.7998 |
Chemical Identifiers
| CAS Number | 354774-67-7 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/N2C=NN=C2)OC3=NC(=NC=C3F)Cl |
Product Overview
(E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine (CAS 354774-67-7), with molecular formula C13H8ClFN6O and molecular weight 318.04 g/mol. IUPAC: (E)-1-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine
Property Insights of (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine
The XLogP value of 2.5351 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine. The TPSA of 78.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine has 0 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 (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine?
The CAS number of (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine is 354774-67-7.
What is the molecular formula of (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine?
The molecular formula of (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine is C13H8ClFN6O.
What is the molecular weight of (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine?
The molecular weight of (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine is 318.04 g/mol.
Where can I buy (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine?
You can request a quote for (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)benzylidene)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.