![5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine structure](/static/products/5870/587008-18-2.webp)
5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine
TL;DR: 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine (CAS 587008-18-2) is a chemical compound with molecular formula C16H15FN4S and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: 5-(4-fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine, 3-(4-fluorophenyl)-5-((4-methylbenzyl)thio)-4H-1,2,4-triazol-4-amine, 3-(4-fluorophenyl)-5-[(4-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, 3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
| Molecular Formula | C16H15FN4S |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | 3.39872 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.10016 |
| Heavy Atoms | 22 |
| Complexity | 765.84485 |
Chemical Identifiers
| CAS Number | 587008-18-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=C(C=C3)F |
Product Overview
5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine (CAS 587008-18-2), with molecular formula C16H15FN4S and molecular weight 314.10 g/mol. IUPAC: 3-(4-fluorophenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine
Property Insights of 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine
The XLogP value of 3.39872 indicates that 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.73 Ų, 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine has 1 hydrogen bond donor(s) and 4 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 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine?
The CAS number of 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine is 587008-18-2.
What is the molecular formula of 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine?
The molecular formula of 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine is C16H15FN4S.
What is the molecular weight of 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine?
The molecular weight of 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine is 314.10 g/mol.
Where can I buy 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine?
You can request a quote for 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Fluorophenyl)-3-[(4-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.