![4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide structure](/static/products/5870/587014-74-2.webp)
4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide
TL;DR: 4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide (CAS 587014-74-2) is a chemical compound with molecular formula C17H16N6O2S and molecular weight 368.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
Also Known As: 4-[2-(4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide, 4-(2-((4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide, 4-(2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide, 4-[({[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide, 4-[[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
| Molecular Formula | C17H16N6O2S |
|---|---|
| Molecular Weight | 368.11 g/mol |
| LogP | 1.7068 |
| Topological Polar Surface Area | 115.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.10553 |
| Heavy Atoms | 26 |
| Complexity | 924.186 |
Chemical Identifiers
| CAS Number | 587014-74-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CN=CC=C3 |
Product Overview
4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide (CAS 587014-74-2), with molecular formula C17H16N6O2S and molecular weight 368.11 g/mol. IUPAC: 4-[[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide
Property Insights of 4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide
The XLogP value of 1.7068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide. The TPSA of 115.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide. Following Lipinski's Rule of Five, 4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide has 2 hydrogen bond donor(s) and 6 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-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide?
The CAS number of 4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide is 587014-74-2.
What is the molecular formula of 4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide?
The molecular formula of 4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide is C17H16N6O2S.
What is the molecular weight of 4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide?
The molecular weight of 4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide is 368.11 g/mol.
Where can I buy 4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide?
You can request a quote for 4-[2-(4-Methyl-5-(3-pyridyl)-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-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(4-Methyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.