1,3-diethyl 2-[(5-bromo-1H-indol-3-yl)methyl]-2-acetamidopropanedioate CAS 75816-14-7
| CAS No. | 75816-14-7 |
| Molecular Formula | C18H21BrN2O5 |
| Molecular Weight | 425.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 425.27 g/mol gives 1,3-diethyl 2-[(5-bromo-1H-indol-3-yl)methyl]-2-acetamidopropanedioate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1,3-diethyl 2-[(5-bromo-1H-indol-3-yl)methyl]-2-acetamidopropanedioate (CAS 75816-14-7), molecular formula C18H21BrN2O5 and molecular weight 425.27 g/mol, is a CATO reference standard with documented purity and traceability.
1,3-diethyl 2-[(5-bromo-1H-indol-3-yl)methyl]-2-acetamidopropanedioate (C18H21BrN2O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C18H21BrN2O5 |
| Molecular Weight | 425.27 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1978 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
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