2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide
TL;DR: 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide (CAS 799802-72-5) is a chemical compound with molecular formula C20H16N6OS and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
Also Known As: 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide, 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide, 2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
| Molecular Formula | C20H16N6OS |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.11063 |
| Heavy Atoms | 28 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 799802-72-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=N3)C4=CN=CC=C4 |
| InChIKey | FVODTDVWMUGIIZ-UHFFFAOYSA-N |
Product Overview
2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide (CAS 799802-72-5), with molecular formula C20H16N6OS and molecular weight 388.11 g/mol. IUPAC: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide.
Chemical Property Profile of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide
Property Insights of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide. Following Lipinski's Rule of Five, 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide has 1 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 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide?
The CAS number of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide is 799802-72-5.
What is the molecular formula of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide?
The molecular formula of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide is C20H16N6OS.
What is the molecular weight of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide?
The molecular weight of 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide is 388.11 g/mol.
Where can I buy 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide?
You can request a quote for 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)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-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.