N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide
TL;DR: N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide (CAS 797797-37-6) is a chemical compound with molecular formula C12H12N4O and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide
Also Known As: N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide, 2-Propenamide, N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl- (9CI)
| Molecular Formula | C12H12N4O |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 1.76502 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.1011 |
| Heavy Atoms | 17 |
| Complexity | 530.4485 |
Chemical Identifiers
| CAS Number | 797797-37-6 |
|---|---|
| SMILES | CC1=NC(=NN1)NC(=O)C=CC2=CC=CC=C2 |
Product Overview
N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide (CAS 797797-37-6), with molecular formula C12H12N4O and molecular weight 228.10 g/mol. IUPAC: N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide.
Chemical Property Profile of N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide
Property Insights of N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide
The XLogP value of 1.76502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide. Following Lipinski's Rule of Five, N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide has 2 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-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide?
The CAS number of N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide is 797797-37-6.
What is the molecular formula of N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide?
The molecular formula of N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide is C12H12N4O.
What is the molecular weight of N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide?
The molecular weight of N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide is 228.10 g/mol.
Where can I buy N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide?
You can request a quote for N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.