ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate
TL;DR: ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate (CAS 51986-04-0) is a chemical compound with molecular formula C10H14N2O5S and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate
Also Known As: 3-ETHOXYCARBONYL-5-HYDROXY-1-SULFOLANYLPYRAZOLE, ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate, Ethyl 5-hydroxy-1-(tetrahydro-3-thienyl)-1H-pyrazole-3-carboxylateS,S-dioxide, ethyl 1-(1,1-dioxidotetrahydrothiophen-3-yl)-5-oxo-2,5-dihydro-1h-pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid,5-hydroxy-1-(tetrahydro-1,1-dioxido-3-thienyl)-, ethyl ester
| Molecular Formula | C10H14N2O5S |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.06235 |
| Heavy Atoms | 18 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 51986-04-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)N(N1)C2CCS(=O)(=O)C2 |
| InChIKey | GZTLJCPVJKMPGR-UHFFFAOYSA-N |
Product Overview
ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate (CAS 51986-04-0), with molecular formula C10H14N2O5S and molecular weight 274.06 g/mol. IUPAC: ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate.
Chemical Property Profile of ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate
Property Insights of ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate
The XLogP value of -0.1 indicates that ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate has 1 hydrogen bond donor(s) and 6 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 ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate?
The CAS number of ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate is 51986-04-0.
What is the molecular formula of ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate?
The molecular formula of ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate is C10H14N2O5S.
What is the molecular weight of ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate?
The molecular weight of ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate is 274.06 g/mol.
Where can I buy ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate?
You can request a quote for ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1,1-dioxothiolan-3-yl)-3-oxo-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.