1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
TL;DR: 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine (CAS 5574-83-4) 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.
1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
Also Known As: 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
| Molecular Formula | C9H7FN4 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 1.6944 |
| Topological Polar Surface Area | 53.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.06548 |
| Heavy Atoms | 14 |
| Complexity | 418.58243 |
Chemical Identifiers
| CAS Number | 5574-83-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NC2=NC=NN2)F |
Product Overview
1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine (CAS 5574-83-4), with molecular formula C9H7FN4 and molecular weight 190.07 g/mol. IUPAC: 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine.
Chemical Property Profile of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
Property Insights of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
The XLogP value of 1.6944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine. With a topological polar surface area (TPSA) of 53.93 Ų, 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine has 1 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 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The CAS number of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine is 5574-83-4.
What is the molecular formula of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The molecular formula of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine is C9H7FN4.
What is the molecular weight of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The molecular weight of 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine is 190.07 g/mol.
Where can I buy 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
You can request a quote for 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.