![1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone structure](/static/products/863/863459-10-3.png)
1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone
TL;DR: 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone (CAS 863459-10-3) is a chemical compound with molecular formula C23H23N7OS and molecular weight 445.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone, 2-{[3-(4-methylphenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one, 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone, 3-(4-methylphenyl)-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thio}-3H-[1,2,3]triazolo[4,5-d]pyrimidine
| Molecular Formula | C23H23N7OS |
|---|---|
| Molecular Weight | 445.17 g/mol |
| LogP | 2.95982 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.1685 |
| Heavy Atoms | 32 |
| Complexity | 1218.3274 |
Chemical Identifiers
| CAS Number | 863459-10-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C(=NC=N3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)N=N2 |
Product Overview
1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone (CAS 863459-10-3), with molecular formula C23H23N7OS and molecular weight 445.17 g/mol. IUPAC: 2-[3-(4-methylphenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone
Property Insights of 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone
The XLogP value of 2.95982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone. The TPSA of 80.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone 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 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone?
The CAS number of 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone is 863459-10-3.
What is the molecular formula of 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone?
The molecular formula of 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone is C23H23N7OS.
What is the molecular weight of 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone?
The molecular weight of 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone is 445.17 g/mol.
Where can I buy 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone?
You can request a quote for 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)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-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-phenylpiperazin-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.