2-(4-Bromophenyl)-1-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)phenyl)-6-methyl-1,5,6,7-tetrahydro-4H-indol-4-one CAS 1274892-52-2
| CAS No. | 1274892-52-2 |
| Molecular Formula | C27H19BrClF3N2OS |
| Molecular Weight | 591.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(4-Bromophenyl)-1-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)phenyl)-6-methyl-1,5,6,7-tetrahydro-4H-indol-4-one is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(4-Bromophenyl)-1-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)phenyl)-6-methyl-1,5,6,7-tetrahydro-4H-indol-4-one (CAS 1274892-52-2) is a high-purity analytical reference standard with the molecular formula C27H19BrClF3N2OS and a molecular weight of 591.87 g/mol.
The molecular framework of 2-(4-Bromophenyl)-1-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)phenyl)-6-methyl-1,5,6,7-tetrahydro-4H-indol-4-one (C27H19BrClF3N2OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
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 | C27H19BrClF3N2OS |
| Molecular Weight | 591.87 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Cl/Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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