N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
TL;DR: N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide (CAS 866142-76-9) is a chemical compound with molecular formula C12H14N4O and molecular weight 230.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
Also Known As: N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide, N-[(4-methylphenyl)methyl]-2-(1H-1,2,4-triazol-1-yl)acetamide, N-[(4-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide, N-(p-tolylmethyl)-2-(1,2,4-triazol-1-yl)acetamide, N-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-1-acetamide
| Molecular Formula | C12H14N4O |
|---|---|
| Molecular Weight | 230.12 g/mol |
| LogP | 0.90292 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.11676 |
| Heavy Atoms | 17 |
| Complexity | 475.71655 |
Chemical Identifiers
| CAS Number | 866142-76-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)CN2C=NC=N2 |
Product Overview
N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide (CAS 866142-76-9), with molecular formula C12H14N4O and molecular weight 230.12 g/mol. IUPAC: N-[(4-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide.
Chemical Property Profile of N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
Property Insights of N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
The XLogP value of 0.90292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide. With a topological polar surface area (TPSA) of 59.81 Ų, N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide 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-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide?
The CAS number of N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide is 866142-76-9.
What is the molecular formula of N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide?
The molecular formula of N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide is C12H14N4O.
What is the molecular weight of N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide?
The molecular weight of N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide is 230.12 g/mol.
Where can I buy N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide?
You can request a quote for N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.