N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 332912-87-5) is a chemical compound with molecular formula C25H22N4O2S and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 01842679, N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-Acetyl-phenyl)-2-(5-benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide, N-(4-acetylphenyl)-2-[4-phenyl-5-benzyl(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C25H22N4O2S |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 4.7915 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.14636 |
| Heavy Atoms | 32 |
| Complexity | 1205.9476 |
Chemical Identifiers
| CAS Number | 332912-87-5 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 332912-87-5), with molecular formula C25H22N4O2S and molecular weight 442.15 g/mol. IUPAC: N-(4-acetylphenyl)-2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 4.7915 indicates that N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide has 1 hydrogen bond donor(s) and 5 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-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is 332912-87-5.
What is the molecular formula of N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is C25H22N4O2S.
What is the molecular weight of N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is 442.15 g/mol.
Where can I buy N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)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-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Acetylphenyl)-2-((5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.