![2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide structure](/static/products/7288/728890-85-5.webp)
2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide
TL;DR: 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide (CAS 728890-85-5) is a chemical compound with molecular formula C17H16FN5OS and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
Also Known As: 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide, 2-((4-amino-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-fluorophenyl)acetamide, 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide, 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
| Molecular Formula | C17H16FN5OS |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 2.83722 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.10596 |
| Heavy Atoms | 25 |
| Complexity | 894.3088 |
Chemical Identifiers
| CAS Number | 728890-85-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3F |
Product Overview
2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide (CAS 728890-85-5), with molecular formula C17H16FN5OS and molecular weight 357.11 g/mol. IUPAC: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide
Property Insights of 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide
The XLogP value of 2.83722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide. Following Lipinski's Rule of Five, 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide 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-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide?
The CAS number of 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide is 728890-85-5.
What is the molecular formula of 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide?
The molecular formula of 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide is C17H16FN5OS.
What is the molecular weight of 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide?
The molecular weight of 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide is 357.11 g/mol.
Where can I buy 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide?
You can request a quote for 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide 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-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-fluorophenyl)aceta mide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.