2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide
TL;DR: 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide (CAS 879463-91-9) is a chemical compound with molecular formula C21H14F7N7OS and molecular weight 545.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
Also Known As: 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide, 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide, 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide, 2-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-[3,5- bis(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C21H14F7N7OS |
|---|---|
| Molecular Weight | 545.09 g/mol |
| LogP | 4.9565 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 545.08685 |
| Heavy Atoms | 37 |
| Complexity | 1396.2621 |
Chemical Identifiers
| CAS Number | 879463-91-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)F |
Product Overview
2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide (CAS 879463-91-9), with molecular formula C21H14F7N7OS and molecular weight 545.09 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide
Property Insights of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide
The XLogP value of 4.9565 indicates that 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide?
The CAS number of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide is 879463-91-9.
What is the molecular formula of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide?
The molecular formula of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide is C21H14F7N7OS.
What is the molecular weight of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide?
The molecular weight of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide is 545.09 g/mol.
Where can I buy 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide?
You can request a quote for 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)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-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-bis(trifluoromethyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.