N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 879470-72-1) is a chemical compound with molecular formula C21H20N8O2S and molecular weight 448.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetamidophenyl)-2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-acetamidophenyl)-2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[4-(acetylamino)phenyl]-2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3- ylthio)]acetamide, N-[4-(acetylamino)phenyl]-2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C21H20N8O2S |
|---|---|
| Molecular Weight | 448.14 g/mol |
| LogP | 2.7382 |
| Topological Polar Surface Area | 143.61 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.143 |
| Heavy Atoms | 32 |
| Complexity | 1234.4403 |
Chemical Identifiers
| CAS Number | 879470-72-1 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=CC=C4 |
Product Overview
N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 879470-72-1), with molecular formula C21H20N8O2S and molecular weight 448.14 g/mol. IUPAC: N-(4-acetamidophenyl)-2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 2.7382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide. The TPSA of 143.61 Ų indicates high polarity, suggesting N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide has 4 hydrogen bond donor(s) and 7 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-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 879470-72-1.
What is the molecular formula of N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C21H20N8O2S.
What is the molecular weight of N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 448.14 g/mol.
Where can I buy N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-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-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-acetamidophenyl)-2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.