ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
TL;DR: ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate (CAS 56059-27-9) is a chemical compound with molecular formula C8H9FN2O4 and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
Also Known As: ChemDiv3_003396, IDI1_021306, ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate, Ethyl 2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate, ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
| Molecular Formula | C8H9FN2O4 |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.05464 |
| Heavy Atoms | 15 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 56059-27-9 |
|---|---|
| SMILES | CCOC(=O)CN1C=C(C(=O)NC1=O)F |
| InChIKey | KKVVUJGTXDPMGE-UHFFFAOYSA-N |
Product Overview
ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate (CAS 56059-27-9), with molecular formula C8H9FN2O4 and molecular weight 216.05 g/mol. IUPAC: ethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.
Chemical Property Profile of ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
Property Insights of ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
The XLogP value of -0.2 indicates that ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-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 (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate. Following Lipinski's Rule of Five, ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate 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 (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate?
The CAS number of ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate is 56059-27-9.
What is the molecular formula of ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate?
The molecular formula of ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate is C8H9FN2O4.
What is the molecular weight of ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate?
The molecular weight of ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate is 216.05 g/mol.
Where can I buy ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate?
You can request a quote for ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-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 (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.