![3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole structure](/static/products/862/862129-07-5.png)
3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole
TL;DR: 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole (CAS 862129-07-5) is a chemical compound with molecular formula C18H16FN3S and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole
Also Known As: 4-allyl-3-((2-fluorobenzyl)thio)-5-phenyl-4H-1,2,4-triazole, 3-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole, 3-[(2-fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole, 3-[(2-fluorobenzyl)sulfanyl]-5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-{[(2-fluorophenyl)methyl]sulfanyl}-5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
| Molecular Formula | C18H16FN3S |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 4.5625 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.1049 |
| Heavy Atoms | 23 |
| Complexity | 799.0362 |
Chemical Identifiers
| CAS Number | 862129-07-5 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=CC=C2F)C3=CC=CC=C3 |
Product Overview
3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole (CAS 862129-07-5), with molecular formula C18H16FN3S and molecular weight 325.10 g/mol. IUPAC: 3-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole
Property Insights of 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole
The XLogP value of 4.5625 indicates that 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-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, 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-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 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole?
The CAS number of 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole is 862129-07-5.
What is the molecular formula of 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole?
The molecular formula of 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole is C18H16FN3S.
What is the molecular weight of 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole?
The molecular weight of 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole is 325.10 g/mol.
Where can I buy 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole?
You can request a quote for 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-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 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Fluorophenyl)methylthio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.