Methyl 4-((3-(2-(acetylthio)ethyl)-2-(methoxycarbonyl)phenoxy)methyl)-2-bromobenzoate CAS 1029720-25-9
| CAS No. | 1029720-25-9 |
| Molecular Formula | C21H21BrO6S |
| Molecular Weight | 481.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 4-((3-(2-(acetylthio)ethyl)-2-(methoxycarbonyl)phenoxy)methyl)-2-bromobenzoate (CAS 1029720-25-9) is a high-purity analytical reference standard with the molecular formula C21H21BrO6S and a molecular weight of 481.36 g/mol.
Based on its molecular formula C21H21BrO6S, Methyl 4-((3-(2-(acetylthio)ethyl)-2-(methoxycarbonyl)phenoxy)methyl)-2-bromobenzoate contains a flavonoid core, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 481.36 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
As a certified reference material (CRM), Methyl 4-((3-(2-(acetylthio)ethyl)-2-(methoxycarbonyl)phenoxy)methyl)-2-bromobenzoate 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 | C21H21BrO6S |
| Molecular Weight | 481.36 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
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- 2-(((3,5-Dimethylisoxazol-4-yl)methyl)thio)phenol (CAS 1248490-06-3)
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