![1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone structure](/static/products/936/936819-78-2.png)
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
TL;DR: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 936819-78-2) is a chemical compound with molecular formula C20H21FN6OS and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C20H21FN6OS |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 2.4571 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.14816 |
| Heavy Atoms | 29 |
| Complexity | 970.3963 |
Chemical Identifiers
| CAS Number | 936819-78-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=NC=C4 |
Product Overview
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 936819-78-2), with molecular formula C20H21FN6OS and molecular weight 412.15 g/mol. IUPAC: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Property Insights of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
The XLogP value of 2.4571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone has 0 hydrogen bond donor(s) and 6 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 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The CAS number of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is 936819-78-2.
What is the molecular formula of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular formula of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is C20H21FN6OS.
What is the molecular weight of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular weight of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is 412.15 g/mol.
Where can I buy 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
You can request a quote for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.