2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-carbodithioate
TL;DR: 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-carbodithioate (CAS 756489-10-8) is a chemical compound with molecular formula C16H19N3O2S2 and molecular weight 349.09 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] morpholine-4-carbodithioate
Also Known As: 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-carbodithioate, [2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl] morpholine-4-carbodithioate, Morpholine-4-carbodithioic acid 2-oxo-2-(5-phenyl-4,5-dihydro-pyrazol-1-yl)-ethyl ester
| Molecular Formula | C16H19N3O2S2 |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 2.2961 |
| Topological Polar Surface Area | 45.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.09186 |
| Heavy Atoms | 23 |
| Complexity | 588.248 |
Chemical Identifiers
| CAS Number | 756489-10-8 |
|---|---|
| SMILES | C1COCCN1C(=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 morpholine-4-carbodithioate (CAS 756489-10-8), with molecular formula C16H19N3O2S2 and molecular weight 349.09 g/mol. IUPAC: [2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl] morpholine-4-carbodithioate.
Chemical Property Profile of 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-carbodithioate
Property Insights of 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-carbodithioate
The XLogP value of 2.2961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-carbodithioate. With a topological polar surface area (TPSA) of 45.14 Ų, 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-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 morpholine-4-carbodithioate 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-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-carbodithioate?
The CAS number of 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-carbodithioate is 756489-10-8.
What is the molecular formula of 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-carbodithioate?
The molecular formula of 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-carbodithioate is C16H19N3O2S2.
What is the molecular weight of 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-carbodithioate?
The molecular weight of 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-carbodithioate is 349.09 g/mol.
Where can I buy 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-carbodithioate?
You can request a quote for 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-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 morpholine-4-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl morpholine-4-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.