![N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine structure](/static/products/570/57071-77-9.png)
N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine
TL;DR: N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine (CAS 57071-77-9) is a chemical compound with molecular formula C9H7ClN4 and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-chlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
Also Known As: Butanoic acid,2-(acetylamino)-4-oxo-(9CI), J2.798.663C, VU0421912-2, n-(4-chlorobenzylidene)-1h-1,2,4-triazol-5-amine, N-(4-Chlorobenzylidene)-1H-1,2,4-triazole-3-amine
| Molecular Formula | C9H7ClN4 |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | 2.2087 |
| Topological Polar Surface Area | 53.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.03592 |
| Heavy Atoms | 14 |
| Complexity | 418.58243 |
Chemical Identifiers
| CAS Number | 57071-77-9 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/C2=NC=NN2)Cl |
Product Overview
N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine (CAS 57071-77-9), with molecular formula C9H7ClN4 and molecular weight 206.04 g/mol. IUPAC: (E)-1-(4-chlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine.
Chemical Property Profile of N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine
Property Insights of N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine
The XLogP value of 2.2087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine. With a topological polar surface area (TPSA) of 53.93 Ų, N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine 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 N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine?
The CAS number of N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine is 57071-77-9.
What is the molecular formula of N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine?
The molecular formula of N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine is C9H7ClN4.
What is the molecular weight of N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine?
The molecular weight of N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine is 206.04 g/mol.
Where can I buy N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine?
You can request a quote for N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-Chlorophenyl)methylene]-N-(4H-1,2,4-triazol-3-YL)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.