![2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide structure](/static/products/5869/586992-45-2.webp)
2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
TL;DR: 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide (CAS 586992-45-2) is a chemical compound with molecular formula C17H15F2N5OS and molecular weight 375.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
Also Known As: 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide, 2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide, 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide, 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3-fluoro-4-methylphe nyl)acetamide
| Molecular Formula | C17H15F2N5OS |
|---|---|
| Molecular Weight | 375.10 g/mol |
| LogP | 2.97632 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.09653 |
| Heavy Atoms | 26 |
| Complexity | 960.07635 |
Chemical Identifiers
| CAS Number | 586992-45-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3F)F |
Product Overview
2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide (CAS 586992-45-2), with molecular formula C17H15F2N5OS and molecular weight 375.10 g/mol. IUPAC: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide.
Chemical Property Profile of 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Property Insights of 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
The XLogP value of 2.97632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide has 2 hydrogen bond donor(s) and 5 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-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide?
The CAS number of 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide is 586992-45-2.
What is the molecular formula of 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide?
The molecular formula of 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide is C17H15F2N5OS.
What is the molecular weight of 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide?
The molecular weight of 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide is 375.10 g/mol.
Where can I buy 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide?
You can request a quote for 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)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-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.