N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide
TL;DR: N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide (CAS 672950-18-4) is a chemical compound with molecular formula C11H11ClN4O and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide
Also Known As: Bionet2_000646, N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide, N-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide, 5R-0804, N-[(4-chlorophenyl)methyl]-2-(4H-1,2,4-triazol-4-yl)acetamide
| Molecular Formula | C11H11ClN4O |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 1.2479 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.06213 |
| Heavy Atoms | 17 |
| Complexity | 480.68234 |
Chemical Identifiers
| CAS Number | 672950-18-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)CN2C=NN=C2)Cl |
Product Overview
N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide (CAS 672950-18-4), with molecular formula C11H11ClN4O and molecular weight 250.06 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-2-(1,2,4-triazol-4-yl)acetamide.
Chemical Property Profile of N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide
Property Insights of N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide
The XLogP value of 1.2479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide. With a topological polar surface area (TPSA) of 59.81 Ų, N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-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-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide?
The CAS number of N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide is 672950-18-4.
What is the molecular formula of N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide?
The molecular formula of N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide is C11H11ClN4O.
What is the molecular weight of N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide?
The molecular weight of N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide is 250.06 g/mol.
Where can I buy N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide?
You can request a quote for N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-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-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorobenzyl)-2-(4H-1,2,4-triazol-4-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.