Ethyl 6-bromo-5-hydroxy-1-methyl-2-((((phenylthio)methyl)amino)methyl)-1H-indole-3-carboxylate CAS 1704066-66-9
| CAS No. | 1704066-66-9 |
| Molecular Formula | C20H21BrN2O3S |
| Molecular Weight | 449.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies Ethyl 6-bromo-5-hydroxy-1-methyl-2-((((phenylthio)methyl)amino)methyl)-1H-indole-3-carboxylate (CAS 1704066-66-9), a certified reference material (molecular formula C20H21BrN2O3S, MW 449.36 g/mol) for analytical method development and quality control.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution, Ethyl 6-bromo-5-hydroxy-1-methyl-2-((((phenylthio)methyl)amino)methyl)-1H-indole-3-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 449.36 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C20H21BrN2O3S |
| Molecular Weight | 449.36 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.) | 1994 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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