Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
TL;DR: Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate (CAS 55036-34-5) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
Also Known As: Ethyl (thymin-1-yl)acetate, Thymine-1-Acetic Acid Ethyl Ester, Thymine-1-ylacetic acid ethyl ester, ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate, J1.394.607H
| Molecular Formula | C9H12N2O4 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.07971 |
| Heavy Atoms | 15 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 55036-34-5 |
|---|---|
| SMILES | CCOC(=O)CN1C=C(C(=O)NC1=O)C |
| InChIKey | PZOFYXHUJOBREJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate (CAS 55036-34-5), with molecular formula C9H12N2O4 and molecular weight 212.08 g/mol. IUPAC: ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate.
Chemical Property Profile of Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
Property Insights of Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
The XLogP value of -0.1 indicates that Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate has 1 hydrogen bond donor(s) and 4 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-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The CAS number of Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate is 55036-34-5.
What is the molecular formula of Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The molecular formula of Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate is C9H12N2O4.
What is the molecular weight of Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The molecular weight of Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate is 212.08 g/mol.
Where can I buy Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
You can request a quote for Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-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-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.