5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one CAS 618075-44-8
| CAS No. | 618075-44-8 |
| Molecular Formula | C20H21BrN2O3S2 |
| Molecular Weight | 481.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one (CAS 618075-44-8), molecular formula C20H21BrN2O3S2 and molecular weight 481.43 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 5-(5-Bromo-1-butyl-2-oxoindolin-3-ylidene)-3-((tetrahydrofuran-2-yl)methyl)-2-thioxothiazolidin-4-one (C20H21BrN2O3S2) 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. 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 | C20H21BrN2O3S2 |
| Molecular Weight | 481.43 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) | 11.0 |
| 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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Recommended Standards
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- (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(phosphonomethyl)phenyl)propanoic acid (CAS 229180-64-7)
- (aR)-a-[(2,3,4,6-Tetra-O-acetyl-b-D-glucopyranosyl)oxy]benzeneacetamide (CAS 207512-68-3)
- 3-(3-Methyl-1,2,4-oxadiazol-5-yl)aniline (CAS 76629-35-1)
- 1-(4-Pyridinyl)-1-ethanone N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazone (CAS 339111-84-1)
- N-(4-Aminophenyl)-3-ethoxybenzamide (CAS 1020054-35-6)
- N-(3-Mercapto-2-methylpropanoyl)glycine-d5 (CAS 1184993-97-2)
- Decitabine Impurity 39 (CAS CATO-C4X-113739)
- Atropine Impurity 22 (CAS 16052-33-8)
- Methyl 4-methyl-3-(2-phenylacetamido)thiophene-2-carboxylate (CAS 866150-10-9)
- 7-Chloro-6-fluorochroman-4-one (CAS 1092349-37-5)
- rac-methyl (1R,2S)-2-ethynylcyclopropane-1-carboxylate (CAS 1909293-92-0)
- Semaglutide impurity 109 (CAS CATO-C4X-2226109)
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