![4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide structure](/static/products/896/896598-08-6.png)
4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide
TL;DR: 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide (CAS 896598-08-6) is a chemical compound with molecular formula C21H17N7O2S and molecular weight 431.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
Also Known As: 4-(2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide, 4-(2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide, 4-[({[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide, 4-[[2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide, 4-[2-(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide
| Molecular Formula | C21H17N7O2S |
|---|---|
| Molecular Weight | 431.12 g/mol |
| LogP | 2.554 |
| Topological Polar Surface Area | 128.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.11646 |
| Heavy Atoms | 31 |
| Complexity | 1195.6525 |
Chemical Identifiers
| CAS Number | 896598-08-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=NC=CN=C4 |
Product Overview
4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide (CAS 896598-08-6), with molecular formula C21H17N7O2S and molecular weight 431.12 g/mol. IUPAC: 4-[[2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide
Property Insights of 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide
The XLogP value of 2.554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide. The TPSA of 128.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide. Following Lipinski's Rule of Five, 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide has 2 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 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide?
The CAS number of 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide is 896598-08-6.
What is the molecular formula of 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide?
The molecular formula of 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide is C21H17N7O2S.
What is the molecular weight of 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide?
The molecular weight of 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide is 431.12 g/mol.
Where can I buy 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide?
You can request a quote for 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-ylthio)acetylamino]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.