4-[(2Z)-3-(2,4-Dimethoxyphenyl)prop-2-enoyl]phenyl 4-bromobenzene-1-sulfonate CAS 331461-46-2
| CAS No. | 331461-46-2 |
| Molecular Formula | C23H19BrO6S |
| Molecular Weight | 503.36 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.
4-[(2Z)-3-(2,4-Dimethoxyphenyl)prop-2-enoyl]phenyl 4-bromobenzene-1-sulfonate (CAS 331461-46-2), molecular formula C23H19BrO6S and molecular weight 503.36 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-[(2Z)-3-(2,4-Dimethoxyphenyl)prop-2-enoyl]phenyl 4-bromobenzene-1-sulfonate (C23H19BrO6S) is characterized by a flavonoid core, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional 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.
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 | C23H19BrO6S |
| Molecular Weight | 503.36 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
Related Z Standards
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Recommended Standards
- 1-Benzyl 2-methyl (2<I>S</I>,4<I>R</I>)-4-((4-bromoisoindoline-2-carbonyl)oxy)pyrrolidine-1,2-dicarboxylate (CAS 1269195-05-2)
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