2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
TL;DR: 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone (CAS 852142-07-5) is a chemical compound with molecular formula C23H24N6OS and molecular weight 432.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone, 2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one, 2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-[[(5Z)-5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
| Molecular Formula | C23H24N6OS |
|---|---|
| Molecular Weight | 432.17 g/mol |
| LogP | 3.4043 |
| Topological Polar Surface Area | 70.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.17322 |
| Heavy Atoms | 31 |
| Complexity | 1193.2411 |
Chemical Identifiers
| CAS Number | 852142-07-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CNC5=CC=CC=C54 |
Product Overview
2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone (CAS 852142-07-5), with molecular formula C23H24N6OS and molecular weight 432.17 g/mol. IUPAC: 2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
Property Insights of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
The XLogP value of 3.4043 indicates that 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone has 1 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-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone?
The CAS number of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone is 852142-07-5.
What is the molecular formula of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular formula of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone is C23H24N6OS.
What is the molecular weight of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular weight of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone is 432.17 g/mol.
Where can I buy 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone?
You can request a quote for 2-((5-(1H-indol-3-yl)-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-((5-(1H-indol-3-yl)-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-((5-(1H-indol-3-yl)-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.