diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate
TL;DR: diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate (CAS 90438-40-7) is a chemical compound with molecular formula C9H12N2O5 and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate
Also Known As: diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate, diethyl 5-oxo-4,5-dihydro-1h-pyrazole-1,3-dicarboxylate, 5-oxo-2,5-dihydro-pyrazole-1,3-dicarboxylic acid diethyl ester
| Molecular Formula | C9H12N2O5 |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.07462 |
| Heavy Atoms | 16 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 90438-40-7 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C1)C(=O)OCC |
| InChIKey | HZGBWSFQDZEJFE-UHFFFAOYSA-N |
Product Overview
diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate (CAS 90438-40-7), with molecular formula C9H12N2O5 and molecular weight 228.07 g/mol. IUPAC: diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate.
Chemical Property Profile of diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate
Property Insights of diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate. Following Lipinski's Rule of Five, diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate has 0 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 diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate?
The CAS number of diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate is 90438-40-7.
What is the molecular formula of diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate?
The molecular formula of diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate is C9H12N2O5.
What is the molecular weight of diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate?
The molecular weight of diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate is 228.07 g/mol.
Where can I buy diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate?
You can request a quote for diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 5-oxo-4H-pyrazole-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.