Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate
TL;DR: Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate (CAS 90836-25-2) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-3-pyrimidin-4-ylpropanoate
Also Known As: 4-hydroxymethylpyrimidine, ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate, NCIOpen2_000996, ethyl 2-oxo-3-pyrimidin-4-ylpropanoate, 3-(4-Pyrimidinyl)pyruvic acid ethyl ester
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 90836-25-2 |
|---|---|
| SMILES | CCOC(=O)C(=O)CC1=NC=NC=C1 |
| InChIKey | OWMPRBZWFCMXRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate (CAS 90836-25-2), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: ethyl 2-oxo-3-pyrimidin-4-ylpropanoate.
Chemical Property Profile of Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate
Property Insights of Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate. Following Lipinski's Rule of Five, Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate 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-oxo-3-(pyrimidin-4-yl)propanoate?
The CAS number of Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate is 90836-25-2.
What is the molecular formula of Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate?
The molecular formula of Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate is C9H10N2O3.
What is the molecular weight of Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate?
The molecular weight of Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate is 194.07 g/mol.
Where can I buy Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate?
You can request a quote for Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-oxo-3-(pyrimidin-4-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.