![3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole structure](/static/products/5777/577762-52-8.webp)
3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole
TL;DR: 3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole (CAS 577762-52-8) is a chemical compound with molecular formula C18H14FN5OS and molecular weight 367.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine
Also Known As: 3-[(4-fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole, 2-(5-((4-fluorobenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)pyrazine, 2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine, 2-{5-[(4-fluorobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}pyrazine, 4-fluorobenzyl 4-(2-furylmethyl)-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl sulfide
| Molecular Formula | C18H14FN5OS |
|---|---|
| Molecular Weight | 367.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.0903 |
| Heavy Atoms | 26 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 577762-52-8 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)F)C4=NC=CN=C4 |
| InChIKey | ODSAIMOHNHBLEQ-UHFFFAOYSA-N |
Product Overview
3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole (CAS 577762-52-8), with molecular formula C18H14FN5OS and molecular weight 367.09 g/mol. IUPAC: 2-[5-[(4-fluorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine.
Chemical Property Profile of 3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole
Property Insights of 3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole. Following Lipinski's Rule of Five, 3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole has 0 hydrogen bond donor(s) and 7 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-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole?
The CAS number of 3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole is 577762-52-8.
What is the molecular formula of 3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole?
The molecular formula of 3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole is C18H14FN5OS.
What is the molecular weight of 3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole?
The molecular weight of 3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole is 367.09 g/mol.
Where can I buy 3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole?
You can request a quote for 3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-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-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Fluorophenyl)methylthio]-4-(2-furylmethyl)-5-pyrazin-2-yl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.