Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate
TL;DR: Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate (CAS 17952-98-6) is a chemical compound with molecular formula C7H6N2O7 and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1,2-dioxido-4-oxopyrazole-1,2-diium-3,5-dicarboxylate
Also Known As: 3,5-Bis(methoxycarbonyl)-4-oxo-4H-pyrazole 1,2-dioxide, dimethyl 1,2-dioxido-4-oxo-pyrazole-3,5-dicarboxylate, Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate, 3,5-bis(methoxycarbonyl)-4-oxo-4H-pyrazole-1,2-diium-1,2-bis(olate), RefChem:338430
| Molecular Formula | C7H6N2O7 |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.0175 |
| Heavy Atoms | 16 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 17952-98-6 |
|---|---|
| SMILES | COC(=O)C1=[N+]([N+](=C(C1=O)C(=O)OC)[O-])[O-] |
| InChIKey | FDSGBUOTAIYGID-UHFFFAOYSA-N |
Product Overview
Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate (CAS 17952-98-6), with molecular formula C7H6N2O7 and molecular weight 230.02 g/mol. IUPAC: dimethyl 1,2-dioxido-4-oxopyrazole-1,2-diium-3,5-dicarboxylate.
Chemical Property Profile of Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate
Property Insights of Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate
The XLogP value of -0.9 indicates that Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate 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 Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate?
The CAS number of Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate is 17952-98-6.
What is the molecular formula of Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate?
The molecular formula of Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate is C7H6N2O7.
What is the molecular weight of Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate?
The molecular weight of Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate is 230.02 g/mol.
Where can I buy Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate?
You can request a quote for Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.