1020252-71-4 4-bromo-5-({2-[(1E)-1-(ethoxyimino)ethyl]phenoxy}methyl)-1-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one MS-6598 CAS 1020252-71-4
| CAS No. | 1020252-71-4 |
| Molecular Formula | C21H22BrN3O3 |
| Molecular Weight | 444.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1020252-71-4 4-bromo-5-({2-[(1E)-1-(ethoxyimino)ethyl]phenoxy}methyl)-1-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one MS-6598 (CAS 1020252-71-4), molecular formula C21H22BrN3O3 and molecular weight 444.32 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1020252-71-4 4-bromo-5-({2-[(1E)-1-(ethoxyimino)ethyl]phenoxy}methyl)-1-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one MS-6598 (C21H22BrN3O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 444.32 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C21H22BrN3O3 |
| Molecular Weight | 444.32 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
Related bromo Standards
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