1-(4-Chlorophenyl)-3-((2,3,4,5,6-pentamethylbenzyl)sulfonyl)propan-1-one CAS 868255-89-4
| CAS No. | 868255-89-4 |
| Molecular Formula | C21H25ClO3S |
| Molecular Weight | 392.94 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C21H25ClO3S, 1-(4-Chlorophenyl)-3-((2,3,4,5,6-pentamethylbenzyl)sulfonyl)propan-1-one contains a steroid core, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 392.94 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.
CATO supplies 1-(4-Chlorophenyl)-3-((2,3,4,5,6-pentamethylbenzyl)sulfonyl)propan-1-one (CAS 868255-89-4), a certified reference material (molecular formula C21H25ClO3S, MW 392.94 g/mol) for analytical method development and quality control.
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 | C21H25ClO3S |
| Molecular Weight | 392.94 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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.) | 1987 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
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