(2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate
TL;DR: (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate (CAS 63018-27-9) is a chemical compound with molecular formula C15H12N2O4S2 and molecular weight 348.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate
Also Known As: (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate, (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4, 2,5-Dioxooxolan-3-yl 3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-4-carbodithioate
| Molecular Formula | C15H12N2O4S2 |
|---|---|
| Molecular Weight | 348.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.02383 |
| Heavy Atoms | 23 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 63018-27-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1C(=S)SC2CC(=O)OC2=O)C3=CC=CC=C3 |
| InChIKey | KVUWXLFILPJQLN-UHFFFAOYSA-N |
Product Overview
(2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate (CAS 63018-27-9), with molecular formula C15H12N2O4S2 and molecular weight 348.02 g/mol. IUPAC: (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate.
Chemical Property Profile of (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate
Property Insights of (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate. Following Lipinski's Rule of Five, (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate 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 (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate?
The CAS number of (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate is 63018-27-9.
What is the molecular formula of (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate?
The molecular formula of (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate is C15H12N2O4S2.
What is the molecular weight of (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate?
The molecular weight of (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate is 348.02 g/mol.
Where can I buy (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate?
You can request a quote for (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for (2,5-dioxooxolan-3-yl) 3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.