2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide
TL;DR: 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide (CAS 522604-31-5) is a chemical compound with molecular formula C16H16N6O2S and molecular weight 356.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Also Known As: 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide, 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide, F2649-0005, 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide, 2-(4-amino-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))-N-(3-methoxyphenyl)acetamide
| Molecular Formula | C16H16N6O2S |
|---|---|
| Molecular Weight | 356.11 g/mol |
| LogP | 1.7933 |
| Topological Polar Surface Area | 107.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.10553 |
| Heavy Atoms | 25 |
| Complexity | 868.0713 |
Chemical Identifiers
| CAS Number | 522604-31-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=CN=CC=C3 |
Product Overview
2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide (CAS 522604-31-5), with molecular formula C16H16N6O2S and molecular weight 356.11 g/mol. IUPAC: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide.
Chemical Property Profile of 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide
Property Insights of 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide
The XLogP value of 1.7933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide. The TPSA of 107.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide 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 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide?
The CAS number of 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide is 522604-31-5.
What is the molecular formula of 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide?
The molecular formula of 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide is C16H16N6O2S.
What is the molecular weight of 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide?
The molecular weight of 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide is 356.11 g/mol.
Where can I buy 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide?
You can request a quote for 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.