![2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide structure](/static/products/6805/680592-83-0.webp)
2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide
TL;DR: 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide (CAS 680592-83-0) is a chemical compound with molecular formula C16H12F3N5OS and molecular weight 379.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide
Also Known As: 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide, 2-((4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-difluorophenyl)acetamide, 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide, 2-{[4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
| Molecular Formula | C16H12F3N5OS |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | 2.807 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.07147 |
| Heavy Atoms | 26 |
| Complexity | 945.5583 |
Chemical Identifiers
| CAS Number | 680592-83-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3)F)F)F |
Product Overview
2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide (CAS 680592-83-0), with molecular formula C16H12F3N5OS and molecular weight 379.07 g/mol. IUPAC: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-difluorophenyl)acetamide.
Chemical Property Profile of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide
Property Insights of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide
The XLogP value of 2.807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide. Following Lipinski's Rule of Five, 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide 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-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide?
The CAS number of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide is 680592-83-0.
What is the molecular formula of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide?
The molecular formula of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide is C16H12F3N5OS.
What is the molecular weight of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide?
The molecular weight of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide is 379.07 g/mol.
Where can I buy 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide?
You can request a quote for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide 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-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(3,4-difluorophenyl)a cetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.