![2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide structure](/static/products/5787/578736-65-9.webp)
2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide
TL;DR: 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide (CAS 578736-65-9) is a chemical compound with molecular formula C18H12F7N5OS and molecular weight 479.07 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-[3,5-bis(trifluoromethyl)phenyl]acetamide
Also Known As: 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide, 2-((4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide, 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide, 2-{[4-amino-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C18H12F7N5OS |
|---|---|
| Molecular Weight | 479.07 g/mol |
| LogP | 4.5664 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.06506 |
| Heavy Atoms | 32 |
| Complexity | 1093.9777 |
Chemical Identifiers
| CAS Number | 578736-65-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN=C(N2N)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)F |
Product Overview
2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide (CAS 578736-65-9), with molecular formula C18H12F7N5OS and molecular weight 479.07 g/mol. IUPAC: 2-[[4-amino-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide
Property Insights of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide
The XLogP value of 4.5664 indicates that 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)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-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)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-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide?
The CAS number of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide is 578736-65-9.
What is the molecular formula of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide?
The molecular formula of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide is C18H12F7N5OS.
What is the molecular weight of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide?
The molecular weight of 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide is 479.07 g/mol.
Where can I buy 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide?
You can request a quote for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)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-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(4-fluorophenyl)(1,2,4-triazol-3-ylthio)]-N-[3,5-bis(trifluoromet hyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.