4-(((3-Hydroxy-1-oxo-1H-inden-2-yl)methylene)amino)-N-(pyrimidin-2-yl)benzenesulfonamide CAS 497061-23-1
| CAS No. | 497061-23-1 |
| Molecular Formula | C20H14N4O4S |
| Molecular Weight | 406.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(((3-Hydroxy-1-oxo-1H-inden-2-yl)methylene)amino)-N-(pyrimidin-2-yl)benzenesulfonamide is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-(((3-Hydroxy-1-oxo-1H-inden-2-yl)methylene)amino)-N-(pyrimidin-2-yl)benzenesulfonamide (CAS 497061-23-1), molecular formula C20H14N4O4S and molecular weight 406.41 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(((3-Hydroxy-1-oxo-1H-inden-2-yl)methylene)amino)-N-(pyrimidin-2-yl)benzenesulfonamide (C20H14N4O4S) 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 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 406.41 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C20H14N4O4S |
| Molecular Weight | 406.41 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.) | 2025 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- Methyl 3-(benzyloxy)-4-methoxybenzoate (CAS 57535-57-6)
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- CAS 1451250-74-0 (CAS 1451250-74-0)
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