N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide
TL;DR: N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide (CAS 154221-29-1) is a chemical compound with molecular formula C10H7Cl3N4O and molecular weight 303.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,2,4-triazol-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
Also Known As: N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide, 2-(1,2,4-triazol-1-yl)-N-(2,4,6-trichlorophenyl)acetamide, 2-(1H-1,2,4-triazol-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
| Molecular Formula | C10H7Cl3N4O |
|---|---|
| Molecular Weight | 303.97 g/mol |
| LogP | 2.877 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.96854 |
| Heavy Atoms | 18 |
| Complexity | 547.50183 |
Chemical Identifiers
| CAS Number | 154221-29-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)NC(=O)CN2C=NC=N2)Cl)Cl |
Product Overview
N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide (CAS 154221-29-1), with molecular formula C10H7Cl3N4O and molecular weight 303.97 g/mol. IUPAC: 2-(1,2,4-triazol-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.
Chemical Property Profile of N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide
Property Insights of N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide
The XLogP value of 2.877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide. With a topological polar surface area (TPSA) of 59.81 Ų, N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-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-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide?
The CAS number of N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide is 154221-29-1.
What is the molecular formula of N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide?
The molecular formula of N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide is C10H7Cl3N4O.
What is the molecular weight of N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide?
The molecular weight of N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide is 303.97 g/mol.
Where can I buy N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide?
You can request a quote for N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4,6-Trichlorophenyl)-1H-1,2,4-triazole-1-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.