2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate
TL;DR: 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate (CAS 724778-95-4) is a chemical compound with molecular formula C17H21N3OS2 and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl] piperidine-1-carbodithioate
Also Known As: 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate, 1-(5-phenyl(2-pyrazolinyl))-2-(piperidylthioxomethylthio)ethan-1-one, [2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl] piperidine-1-carbodithioate, Piperidine-1-carbodithioic acid 2-oxo-2-(5-phenyl-4,5-dihydro-pyrazol-1-yl)-ethyl ester
| Molecular Formula | C17H21N3OS2 |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 3.4498 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.1126 |
| Heavy Atoms | 23 |
| Complexity | 584.7611 |
Chemical Identifiers
| CAS Number | 724778-95-4 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)SCC(=O)N2C(CC=N2)C3=CC=CC=C3 |
Product Overview
2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate (CAS 724778-95-4), with molecular formula C17H21N3OS2 and molecular weight 347.11 g/mol. IUPAC: [2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl] piperidine-1-carbodithioate.
Chemical Property Profile of 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate
Property Insights of 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate
The XLogP value of 3.4498 indicates that 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.91 Ų, 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate has 0 hydrogen bond donor(s) and 4 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-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate?
The CAS number of 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate is 724778-95-4.
What is the molecular formula of 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate?
The molecular formula of 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate is C17H21N3OS2.
What is the molecular weight of 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate?
The molecular weight of 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate is 347.11 g/mol.
Where can I buy 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate?
You can request a quote for 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl piperidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.