Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate
TL;DR: Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate (CAS 168975-19-7) is a chemical compound with molecular formula C13H16N2O6 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate
Also Known As: NCI60_028199, diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate, DIETHYL 2-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN- 1(2H)-YL)FUMARATE, diethyl 2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)but-2-enedioate
| Molecular Formula | C13H16N2O6 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.10083 |
| Heavy Atoms | 21 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 168975-19-7 |
|---|---|
| SMILES | CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)NC1=O)C |
| InChIKey | RBIZUPIXEMIJIL-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate (CAS 168975-19-7), with molecular formula C13H16N2O6 and molecular weight 296.10 g/mol. IUPAC: diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate.
Chemical Property Profile of Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate
Property Insights of Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate. Following Lipinski's Rule of Five, Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate has 1 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 Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate?
The CAS number of Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate is 168975-19-7.
What is the molecular formula of Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate?
The molecular formula of Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate is C13H16N2O6.
What is the molecular weight of Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate?
The molecular weight of Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate is 296.10 g/mol.
Where can I buy Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate?
You can request a quote for Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.