ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
TL;DR: ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate (CAS 370076-05-4) is a chemical compound with molecular formula C13H17BrN2O6 and molecular weight 376.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]propanoate
Also Known As: ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate, ethyl 3-[5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]propanoate, ethyl 3-[5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]propanoate
| Molecular Formula | C13H17BrN2O6 |
|---|---|
| Molecular Weight | 376.03 g/mol |
| LogP | 0.2888 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.027 |
| Heavy Atoms | 22 |
| Complexity | 663.4747 |
Chemical Identifiers
| CAS Number | 370076-05-4 |
|---|---|
| SMILES | CCOC(=O)CCN1C=C(C(=O)N(C1=O)CC(=O)OCC)Br |
Product Overview
ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate (CAS 370076-05-4), with molecular formula C13H17BrN2O6 and molecular weight 376.03 g/mol. IUPAC: ethyl 3-[5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxopyrimidin-1-yl]propanoate.
Chemical Property Profile of ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
Property Insights of ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate
The XLogP value of 0.2888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate. Following Lipinski's Rule of Five, ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate has 0 hydrogen bond donor(s) and 6 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-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
The CAS number of ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate is 370076-05-4.
What is the molecular formula of ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
The molecular formula of ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate is C13H17BrN2O6.
What is the molecular weight of ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
The molecular weight of ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate is 376.03 g/mol.
Where can I buy ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
You can request a quote for ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-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-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(5-bromo-3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.