![2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one structure](/static/products/876/876940-69-1.png)
2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
TL;DR: 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one (CAS 876940-69-1) is a chemical compound with molecular formula C19H21N7OS and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
Also Known As: 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one, 2-(5-methyl-4-phenyl(1,2,4-triazol-3-ylthio))-1-(4-pyrimidin-2-ylpiperazinyl)e than-1-one, 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
| Molecular Formula | C19H21N7OS |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 1.80662 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.15283 |
| Heavy Atoms | 28 |
| Complexity | 923.9699 |
Chemical Identifiers
| CAS Number | 876940-69-1 |
|---|---|
| SMILES | CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C4=NC=CC=N4 |
Product Overview
2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one (CAS 876940-69-1), with molecular formula C19H21N7OS and molecular weight 395.15 g/mol. IUPAC: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Property Insights of 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
The XLogP value of 1.80662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one. The TPSA of 80.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one. Following Lipinski's Rule of Five, 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one 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 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one?
The CAS number of 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one is 876940-69-1.
What is the molecular formula of 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one?
The molecular formula of 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one is C19H21N7OS.
What is the molecular weight of 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one?
The molecular weight of 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one is 395.15 g/mol.
Where can I buy 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one?
You can request a quote for 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.