(E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine
TL;DR: (E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine (CAS 35548-80-2) is a chemical compound with molecular formula C9H7FN4 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(3-fluorophenyl)-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: (E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine, 1-(3-fluorophenyl)-N-(1,2,4-triazol-4-yl)methanimine, N-[(E)-(3-fluorophenyl)methylidene]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C9H7FN4 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 1.2994 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.06548 |
| Heavy Atoms | 14 |
| Complexity | 435.83243 |
Chemical Identifiers
| CAS Number | 35548-80-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)/C=N/N2C=NN=C2 |
Product Overview
(E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine (CAS 35548-80-2), with molecular formula C9H7FN4 and molecular weight 190.07 g/mol. IUPAC: (E)-1-(3-fluorophenyl)-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of (E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine
Property Insights of (E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine
The XLogP value of 1.2994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 43.07 Ų, (E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-(3-fluorobenzylidene)-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 (E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine?
The CAS number of (E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine is 35548-80-2.
What is the molecular formula of (E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine?
The molecular formula of (E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine is C9H7FN4.
What is the molecular weight of (E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine?
The molecular weight of (E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine is 190.07 g/mol.
Where can I buy (E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine?
You can request a quote for (E)-N-(3-fluorobenzylidene)-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-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(3-fluorobenzylidene)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.