![2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide structure](/static/products/901/901150-54-7.png)
2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide (CAS 901150-54-7) is a chemical compound with molecular formula C16H13F3N6OS and molecular weight 394.08 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-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide, F2649-0052, 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide, 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
| Molecular Formula | C16H13F3N6OS |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 2.8035 |
| Topological Polar Surface Area | 98.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.08237 |
| Heavy Atoms | 27 |
| Complexity | 944.82874 |
Chemical Identifiers
| CAS Number | 901150-54-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)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]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide (CAS 901150-54-7), with molecular formula C16H13F3N6OS and molecular weight 394.08 g/mol. IUPAC: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
The XLogP value of 2.8035 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide. The TPSA of 98.72 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]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide 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 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide is 901150-54-7.
What is the molecular formula of 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide is C16H13F3N6OS.
What is the molecular weight of 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide is 394.08 g/mol.
Where can I buy 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]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]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.