![2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide structure](/static/products/6805/680593-17-3.webp)
2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide
TL;DR: 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide (CAS 680593-17-3) is a chemical compound with molecular formula C16H11BrF3N5OS and molecular weight 456.98 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-(2-bromo-4,6-difluorophenyl)acetamide
Also Known As: 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide, 2-((4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-bromo-4,6-difluorophenyl)acetamide, 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4,6-difluorophenyl)acetamide, 2-{[4-amino-5-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-bromo-4,6-difluorophenyl)acetamide
| Molecular Formula | C16H11BrF3N5OS |
|---|---|
| Molecular Weight | 456.98 g/mol |
| LogP | 3.5695 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.982 |
| Heavy Atoms | 27 |
| Complexity | 990.466 |
Chemical Identifiers
| CAS Number | 680593-17-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3Br)F)F)F |
Product Overview
2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide (CAS 680593-17-3), with molecular formula C16H11BrF3N5OS and molecular weight 456.98 g/mol. IUPAC: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4,6-difluorophenyl)acetamide.
Chemical Property Profile of 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide
Property Insights of 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide
The XLogP value of 3.5695 indicates that 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide. Following Lipinski's Rule of Five, 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)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)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide?
The CAS number of 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide is 680593-17-3.
What is the molecular formula of 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide?
The molecular formula of 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide is C16H11BrF3N5OS.
What is the molecular weight of 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide?
The molecular weight of 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide is 456.98 g/mol.
Where can I buy 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide?
You can request a quote for 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro 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-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(2-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-(2-bromo-4,6-difluoro phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.