4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide
TL;DR: 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide (CAS 477329-01-4) is a chemical compound with molecular formula C24H22N6O3S and molecular weight 474.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
Also Known As: 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide, 4-[({[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide, 4-{2-[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}benz amide, 4-((((4-(4-Ethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetyl)amino)benzamide, 4-(2-{[4-(4-ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide
| Molecular Formula | C24H22N6O3S |
|---|---|
| Molecular Weight | 474.15 g/mol |
| LogP | 3.5577 |
| Topological Polar Surface Area | 125.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.1474 |
| Heavy Atoms | 34 |
| Complexity | 1274.5784 |
Chemical Identifiers
| CAS Number | 477329-01-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CN=CC=C4 |
Product Overview
4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide (CAS 477329-01-4), with molecular formula C24H22N6O3S and molecular weight 474.15 g/mol. IUPAC: 4-[[2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide
Property Insights of 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide
The XLogP value of 3.5577 indicates that 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide. Following Lipinski's Rule of Five, 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)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-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
The CAS number of 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is 477329-01-4.
What is the molecular formula of 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
The molecular formula of 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is C24H22N6O3S.
What is the molecular weight of 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
The molecular weight of 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is 474.15 g/mol.
Where can I buy 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
You can request a quote for 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)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-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((4-(4-Ethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.