![3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole structure](/static/products/5754/575468-01-8.webp)
3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole
TL;DR: 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole (CAS 575468-01-8) is a chemical compound with molecular formula C15H13ClFN3OS and molecular weight 337.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole
Also Known As: 3-[(2-chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole, 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole, 3-[(2-chloro-6-fluorobenzyl)thio]-4-ethyl-5-(2-furyl)-4H-1,2,4-triazole, 3-[(2-chloro-6-fluoro-benzyl)thio]-4-ethyl-5-(2-furyl)-1,2,4-triazole, 3-((2-chloro-6-fluorobenzyl)thio)-4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazole
| Molecular Formula | C15H13ClFN3OS |
|---|---|
| Molecular Weight | 337.05 g/mol |
| LogP | 4.6428 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.0452 |
| Heavy Atoms | 22 |
| Complexity | 752.948 |
Chemical Identifiers
| CAS Number | 575468-01-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CC=CO3 |
Product Overview
3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole (CAS 575468-01-8), with molecular formula C15H13ClFN3OS and molecular weight 337.05 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole.
Chemical Property Profile of 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole
Property Insights of 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole
The XLogP value of 4.6428 indicates that 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-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 43.85 Ų, 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole has 0 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 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole?
The CAS number of 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole is 575468-01-8.
What is the molecular formula of 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole?
The molecular formula of 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole is C15H13ClFN3OS.
What is the molecular weight of 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole?
The molecular weight of 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole is 337.05 g/mol.
Where can I buy 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole?
You can request a quote for 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-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-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Chloro-6-fluorophenyl)methylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.