Ethyl 6-Bromo-4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate CAS 116736-22-2
| CAS No. | 116736-22-2 |
| Molecular Formula | C27H27BrN2O3S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Ethyl 6-Bromo-4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate (CAS 116736-22-2), a certified reference material (molecular formula C27H27BrN2O3SHCl, MW 575.95 g/mol) for analytical method development and quality control.
Based on its molecular formula C27H27BrN2O3SHCl, Ethyl 6-Bromo-4-((dimethylamino)methyl)-5-hydroxy-1-phenyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 575.95 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C27H27BrN2O3S HCl |
| Molecular Weight | 575.95 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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- Toremifene Impurity 3 (CAS 1798421-30-3)
- N-(5-Amino-2-methylphenyl)-2-(2-chlorophenoxy)-propanamide (CAS 1020723-57-2)
- Peptide Impurity (CAS CATO-CPTD788810)
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