dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate
TL;DR: dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate (CAS 168705-59-7) is a chemical compound with molecular formula C11H12N2O7 and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate
Also Known As: dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate
| Molecular Formula | C11H12N2O7 |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | -0.2713 |
| Topological Polar Surface Area | 124.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.06445 |
| Heavy Atoms | 20 |
| Complexity | 561.1179 |
Chemical Identifiers
| CAS Number | 168705-59-7 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=NNC(=C1C(=O)OC)C(=O)OC |
Product Overview
dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate (CAS 168705-59-7), with molecular formula C11H12N2O7 and molecular weight 284.06 g/mol. IUPAC: dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate.
Chemical Property Profile of dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate
Property Insights of dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate
The XLogP value of -0.2713 indicates that dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.65 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate has 1 hydrogen bond donor(s) and 8 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 dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate?
The CAS number of dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate is 168705-59-7.
What is the molecular formula of dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate?
The molecular formula of dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate is C11H12N2O7.
What is the molecular weight of dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate?
The molecular weight of dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate is 284.06 g/mol.
Where can I buy dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate?
You can request a quote for dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 3-(2-ethoxy-2-oxoacetyl)-1H-pyrazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.