1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
TL;DR: 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine (CAS 720674-14-6) is a chemical compound with molecular formula C15H11ClN4O and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-amino-3-phenyl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone
Also Known As: 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine, AE-848/42278523, (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone
| Molecular Formula | C15H11ClN4O |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 2.8692 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.06213 |
| Heavy Atoms | 21 |
| Complexity | 781.1931 |
Chemical Identifiers
| CAS Number | 720674-14-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(=N2)N)C(=O)C3=CC=C(C=C3)Cl |
Product Overview
1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine (CAS 720674-14-6), with molecular formula C15H11ClN4O and molecular weight 298.06 g/mol. IUPAC: (5-amino-3-phenyl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone.
Chemical Property Profile of 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
Property Insights of 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine
The XLogP value of 2.8692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine has 1 hydrogen bond donor(s) and 4 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-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
The CAS number of 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine is 720674-14-6.
What is the molecular formula of 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
The molecular formula of 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine is C15H11ClN4O.
What is the molecular weight of 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
The molecular weight of 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine is 298.06 g/mol.
Where can I buy 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
You can request a quote for 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.