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ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate
TL;DR: ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate (CAS 656831-55-9) is a chemical compound with molecular formula C15H14N4O3 and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate
Also Known As: ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate, ethyl (4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate, BAS 09858839, Glycine,N-hydroxy-L-glutaminyl-L-cysteinyl, ethyl 2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetate
| Molecular Formula | C15H14N4O3 |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.1066 |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 656831-55-9 |
|---|---|
| SMILES | CCOC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3 |
| InChIKey | QGCCCWOHGNWDSL-UHFFFAOYSA-N |
Product Overview
ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate (CAS 656831-55-9), with molecular formula C15H14N4O3 and molecular weight 298.11 g/mol. IUPAC: ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate.
Chemical Property Profile of ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate
Property Insights of ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate has 0 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 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate?
The CAS number of ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate is 656831-55-9.
What is the molecular formula of ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate?
The molecular formula of ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate is C15H14N4O3.
What is the molecular weight of ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate?
The molecular weight of ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate is 298.11 g/mol.
Where can I buy ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate?
You can request a quote for ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.