3-((4-Bromophenyl)sulfonyl)-2-hydroxy-2-methyl-N-(4-(trifluoromethyl)phenyl)propanamide CAS 338956-13-1
| CAS No. | 338956-13-1 |
| Molecular Formula | C17H15BrF3NO4S |
| Molecular Weight | 466.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 3-((4-Bromophenyl)sulfonyl)-2-hydroxy-2-methyl-N-(4-(trifluoromethyl)phenyl)propanamide (C17H15BrF3NO4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 466.27 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
3-((4-Bromophenyl)sulfonyl)-2-hydroxy-2-methyl-N-(4-(trifluoromethyl)phenyl)propanamide (CAS 338956-13-1) is a high-purity analytical reference standard with the molecular formula C17H15BrF3NO4S and a molecular weight of 466.27 g/mol.
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 | C17H15BrF3NO4S |
| Molecular Weight | 466.27 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-5-(trifluoromethyl)-1h-pyrrolo[2,3-b]pyridine (CAS 1036027-60-7)
- 3-(3-Fluorobenzoyl)-4-methylpyridine (CAS 158978-25-7)
- (S)-1-Methoxybut-3-en-2-amine hydrochloride (CAS 1956437-14-1)
- 2-Fluoro-5-(trifluoromethyl)pyridine-3-boronic acid pinacol ester, 97% (CAS 1128269-66-8)
- Methyl 1-(4-aminophenyl)cyclopentane-1-carboxylate (CAS 135569-20-9)
- 5-(3,4-Dichlorophenyl)-N-phenylthiophene-2-carboxamide (CAS 338793-94-5)
- Palmatine chloride (CAS 10605-02-4)
- n-(4-Methoxyphenyl)methanesulfonamide (CAS 4284-48-4)
- Fosinopril impurity 3 (CAS CATO-C4X-16523)
- 5-Amino-1-[(3-fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide (CAS 119222-38-7)
- Semaglutide impurity 47 (CAS CATO-C4X-222647)
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