N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide
TL;DR: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide (CAS 835912-03-3) is a chemical compound with molecular formula C16H15N5O and molecular weight 293.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide
Also Known As: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide, N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4-methylbenzamide, N-(5-Amino-1-phenyl-1H-[1,2,4]triazol-3-yl)-4-methyl-benzamide
| Molecular Formula | C16H15N5O |
|---|---|
| Molecular Weight | 293.13 g/mol |
| LogP | 2.41022 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.12766 |
| Heavy Atoms | 22 |
| Complexity | 793.1633 |
Chemical Identifiers
| CAS Number | 835912-03-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=NN(C(=N2)N)C3=CC=CC=C3 |
Product Overview
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide (CAS 835912-03-3), with molecular formula C16H15N5O and molecular weight 293.13 g/mol. IUPAC: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide.
Chemical Property Profile of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide
Property Insights of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide
The XLogP value of 2.41022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide. Following Lipinski's Rule of Five, N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide has 2 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 N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide?
The CAS number of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide is 835912-03-3.
What is the molecular formula of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide?
The molecular formula of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide is C16H15N5O.
What is the molecular weight of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide?
The molecular weight of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide is 293.13 g/mol.
Where can I buy N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide?
You can request a quote for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.