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Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
TL;DR: Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate (CAS 64689-83-4) is a chemical compound with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate, 3J-930, ethyl 3-cyano-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-6-carboxylate, ETHYL 3-CYANO-7-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
| Molecular Formula | C10H8N4O3 |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 0.07098 |
| Topological Polar Surface Area | 100.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.05965 |
| Heavy Atoms | 17 |
| Complexity | 676.8963 |
Chemical Identifiers
| CAS Number | 64689-83-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C(=CNN2C1=O)C#N |
Product Overview
Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate (CAS 64689-83-4), with molecular formula C10H8N4O3 and molecular weight 232.06 g/mol. IUPAC: ethyl 3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
Property Insights of Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
The XLogP value of 0.07098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate. The TPSA of 100.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate has 1 hydrogen bond donor(s) and 5 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 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The CAS number of Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate is 64689-83-4.
What is the molecular formula of Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The molecular formula of Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate is C10H8N4O3.
What is the molecular weight of Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The molecular weight of Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate is 232.06 g/mol.
Where can I buy Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
You can request a quote for Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.