N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine
TL;DR: N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine (CAS 303095-45-6) is a chemical compound with molecular formula C11H10BrFN4 and molecular weight 296.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(5-bromo-2-fluorophenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
Also Known As: n-(5-bromo-2-fluorobenzylidene)-3,5-dimethyl-4h-1,2,4-triazol-4-amine, 1-(5-bromo-2-fluoro-phenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine, 4-[(1E)-2-(5-bromo-2-fluorophenyl)-1-azavinyl]-3,5-dimethyl-1,2,4-triazole, N-[(1E)-(5-bromo-2-fluorophenyl)methylene]-3,5-dimethyl-4H-1,2,4-triazol-4-amine, N-[(E)-(5-bromo-2-fluorophenyl)methylidene]-3,5-dimethyl-4H-1,2,4-triazol-4-amine
| Molecular Formula | C11H10BrFN4 |
|---|---|
| Molecular Weight | 296.01 g/mol |
| LogP | 2.67874 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.0073 |
| Heavy Atoms | 17 |
| Complexity | 557.3456 |
Chemical Identifiers
| CAS Number | 303095-45-6 |
|---|---|
| SMILES | CC1=NN=C(N1/N=C/C2=C(C=CC(=C2)Br)F)C |
Product Overview
N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine (CAS 303095-45-6), with molecular formula C11H10BrFN4 and molecular weight 296.01 g/mol. IUPAC: (E)-1-(5-bromo-2-fluorophenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine
Property Insights of N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine
The XLogP value of 2.67874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 43.07 Ų, N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine has 0 hydrogen bond donor(s) and 3 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-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
The CAS number of N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine is 303095-45-6.
What is the molecular formula of N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
The molecular formula of N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine is C11H10BrFN4.
What is the molecular weight of N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
The molecular weight of N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine is 296.01 g/mol.
Where can I buy N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
You can request a quote for N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-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 N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(5-Bromo-2-fluorobenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.