2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
TL;DR: 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone (CAS 403833-60-3) is a chemical compound with molecular formula C15H19N5OS and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: VU0494133-1, F1016-0085, 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone, 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-(4-methyl-4H-1,2,4-triazol-3-ylthio)-1-(4-phenyl-1-piperazinyl)-1-ethanone
| Molecular Formula | C15H19N5OS |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 1.256 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.13104 |
| Heavy Atoms | 22 |
| Complexity | 621.87286 |
Chemical Identifiers
| CAS Number | 403833-60-3 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3 |
Product Overview
2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone (CAS 403833-60-3), with molecular formula C15H19N5OS and molecular weight 317.13 g/mol. IUPAC: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
Property Insights of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
The XLogP value of 1.256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone. With a topological polar surface area (TPSA) of 54.26 Ų, 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone has 0 hydrogen bond donor(s) and 5 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-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone?
The CAS number of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone is 403833-60-3.
What is the molecular formula of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular formula of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone is C15H19N5OS.
What is the molecular weight of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular weight of 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone is 317.13 g/mol.
Where can I buy 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone?
You can request a quote for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.