3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine
TL;DR: 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine (CAS 879459-93-5) is a chemical compound with molecular formula C18H14FN7O2S and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine, 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine, 3-[3-(4-fluorophenyl)pyrazol-5-yl]-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol e-4-ylamine, 3-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, 3-[5-(4-fluorophenyl)-2H-pyrazol-3-yl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
| Molecular Formula | C18H14FN7O2S |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | 3.3886 |
| Topological Polar Surface Area | 128.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.09137 |
| Heavy Atoms | 29 |
| Complexity | 1155.9337 |
Chemical Identifiers
| CAS Number | 879459-93-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)F)[N+](=O)[O-] |
Product Overview
3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine (CAS 879459-93-5), with molecular formula C18H14FN7O2S and molecular weight 411.09 g/mol. IUPAC: 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine
Property Insights of 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine
The XLogP value of 3.3886 indicates that 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine has 2 hydrogen bond donor(s) and 7 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 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine is 879459-93-5.
What is the molecular formula of 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine is C18H14FN7O2S.
What is the molecular weight of 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine is 411.09 g/mol.
Where can I buy 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.