| CAS No. | 853597-49-6 |
| Molecular Formula | C22H21N3O7S |
| Molecular Weight | 471.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 853597-49-6), molecular formula C22H21N3O7S and molecular weight 471.48 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (C22H21N3O7S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 471.48 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
As a certified reference material (CRM), Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
| Molecular Formula | C22H21N3O7S |
| Molecular Weight | 471.48 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |