N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide
TL;DR: N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide (CAS 768287-97-4) is a chemical compound with molecular formula C16H13ClN4O and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzamide
Also Known As: N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide, N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzamide, N-(1-benzyl-1,2,4-triazol-3-yl)-4-chloro-benzamide
| Molecular Formula | C16H13ClN4O |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 3.2321 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0778 |
| Heavy Atoms | 22 |
| Complexity | 768.3546 |
Chemical Identifiers
| CAS Number | 768287-97-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=NC(=N2)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide (CAS 768287-97-4), with molecular formula C16H13ClN4O and molecular weight 312.08 g/mol. IUPAC: N-(1-benzyl-1,2,4-triazol-3-yl)-4-chlorobenzamide.
Chemical Property Profile of N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide
Property Insights of N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide
The XLogP value of 3.2321 indicates that N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide 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-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide?
The CAS number of N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide is 768287-97-4.
What is the molecular formula of N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide?
The molecular formula of N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide is C16H13ClN4O.
What is the molecular weight of N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide?
The molecular weight of N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide is 312.08 g/mol.
Where can I buy N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide?
You can request a quote for N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzyl-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.