ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
TL;DR: ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate (CAS 84426-07-3) is a chemical compound with molecular formula C9H11FN2O4 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
Also Known As: ChemDiv3_002021, IDI1_020987, BAS 00718773, ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate, J2.035.302C
| Molecular Formula | C9H11FN2O4 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.07028 |
| Heavy Atoms | 16 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 84426-07-3 |
|---|---|
| SMILES | CCOC(=O)CCN1C=C(C(=O)NC1=O)F |
| InChIKey | UDVJIFZOVKMZTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate (CAS 84426-07-3), with molecular formula C9H11FN2O4 and molecular weight 230.07 g/mol. IUPAC: ethyl 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate.
Chemical Property Profile of ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
Property Insights of ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
The XLogP value of -0.6 indicates that ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate 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 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate. Following Lipinski's Rule of Five, ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate 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-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
The CAS number of ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate is 84426-07-3.
What is the molecular formula of ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
The molecular formula of ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate is C9H11FN2O4.
What is the molecular weight of ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
The molecular weight of ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate is 230.07 g/mol.
Where can I buy ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
You can request a quote for ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-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 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.