5-(5-Bromo-2-oxo-1-propylindolin-3-ylidene)-3-(3-ethoxypropyl)-2-thioxothiazolidin-4-one CAS 617698-12-1
| CAS No. | 617698-12-1 |
| Molecular Formula | C19H21BrN2O3S2 |
| Molecular Weight | 469.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
5-(5-Bromo-2-oxo-1-propylindolin-3-ylidene)-3-(3-ethoxypropyl)-2-thioxothiazolidin-4-one (CAS 617698-12-1), molecular formula C19H21BrN2O3S2 and molecular weight 469.42 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 5-(5-Bromo-2-oxo-1-propylindolin-3-ylidene)-3-(3-ethoxypropyl)-2-thioxothiazolidin-4-one (C19H21BrN2O3S2) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 5-(5-Bromo-2-oxo-1-propylindolin-3-ylidene)-3-(3-ethoxypropyl)-2-thioxothiazolidin-4-one 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.
Physical & Chemical Properties
| Molecular Formula | C19H21BrN2O3S2 |
| Molecular Weight | 469.42 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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