![4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole structure](/static/products/861/861123-40-2.png)
4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole
TL;DR: 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole (CAS 861123-40-2) is a chemical compound with molecular formula C18H18FN3S and molecular weight 327.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-[(2-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazole
Also Known As: 4-ethyl-3-((2-fluorobenzyl)thio)-5-(p-tolyl)-4H-1,2,4-triazole, 4-ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole, 4-ethyl-3-[(2-fluorobenzyl)sulfanyl]-5-(4-methylphenyl)-4H-1,2,4-triazole, 4-ethyl-3-[(2-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazole, 4-ethyl-3-{[(2-fluorophenyl)methyl]sulfanyl}-5-(4-methylphenyl)-4H-1,2,4-triazole
| Molecular Formula | C18H18FN3S |
|---|---|
| Molecular Weight | 327.12 g/mol |
| LogP | 4.70482 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.12054 |
| Heavy Atoms | 23 |
| Complexity | 796.2813 |
Chemical Identifiers
| CAS Number | 861123-40-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=CC=C2F)C3=CC=C(C=C3)C |
Product Overview
4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole (CAS 861123-40-2), with molecular formula C18H18FN3S and molecular weight 327.12 g/mol. IUPAC: 4-ethyl-3-[(2-fluorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazole.
Chemical Property Profile of 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole
Property Insights of 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole
The XLogP value of 4.70482 indicates that 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 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 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole?
The CAS number of 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole is 861123-40-2.
What is the molecular formula of 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole?
The molecular formula of 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole is C18H18FN3S.
What is the molecular weight of 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole?
The molecular weight of 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole is 327.12 g/mol.
Where can I buy 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole?
You can request a quote for 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-3-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.