Ethyl 2-{[(5E)-5-[(naphthalen-1-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}-6-oxo-1,6-dihydropyrimidine-5-carboxylate CAS 866041-00-1
| CAS No. | 866041-00-1 |
| Molecular Formula | C21H16N4O4S |
| Molecular Weight | 420.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 420.44 g/mol gives Ethyl 2-{[(5E)-5-[(naphthalen-1-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}-6-oxo-1,6-dihydropyrimidine-5-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Ethyl 2-{[(5E)-5-[(naphthalen-1-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}-6-oxo-1,6-dihydropyrimidine-5-carboxylate (CAS 866041-00-1) is a high-purity analytical reference standard with the molecular formula C21H16N4O4S and a molecular weight of 420.44 g/mol.
Ethyl 2-{[(5E)-5-[(naphthalen-1-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}-6-oxo-1,6-dihydropyrimidine-5-carboxylate (C21H16N4O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C21H16N4O4S |
| Molecular Weight | 420.44 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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