3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine
TL;DR: 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine (CAS 879448-47-2) is a chemical compound with molecular formula C15H15FN6S and molecular weight 330.11 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-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-amine
Also Known As: 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine, 3-[3-(4-fluorophenyl)pyrazol-5-yl]-5-(2-methylprop-2-enylthio)-1,2,4-triazole- 4-ylamine, 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-amine, 3-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C15H15FN6S |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | 2.8563 |
| Topological Polar Surface Area | 85.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.1063 |
| Heavy Atoms | 23 |
| Complexity | 836.0316 |
Chemical Identifiers
| CAS Number | 879448-47-2 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C(N1N)C2=CC(=NN2)C3=CC=C(C=C3)F |
Product Overview
3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine (CAS 879448-47-2), with molecular formula C15H15FN6S and molecular weight 330.11 g/mol. IUPAC: 3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine
Property Insights of 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine
The XLogP value of 2.8563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine. The TPSA of 85.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine 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 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine is 879448-47-2.
What is the molecular formula of 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine is C15H15FN6S.
What is the molecular weight of 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine is 330.11 g/mol.
Where can I buy 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-5-((2-methylallyl)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-((2-methylallyl)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-((2-methylallyl)thio)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.