[(2R,3R,4R,5S)-3-(benzoyloxy)-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate CAS 1233335-84-6
| CAS No. | 1233335-84-6 |
| Molecular Formula | C20H30BrFO5 |
| Molecular Weight | 449.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
[(2R,3R,4R,5S)-3-(benzoyloxy)-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate (CAS 1233335-84-6), molecular formula C20H30BrFO5 and molecular weight 449.35 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, [(2R,3R,4R,5S)-3-(benzoyloxy)-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate (C20H30BrFO5) contains a steroid core, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 449.35 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
Physical & Chemical Properties
| Molecular Formula | C20H30BrFO5 |
| Molecular Weight | 449.35 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Br-containing |
Recommended Standards
- 5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-2-ethyl-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazoline (CAS 1221715-30-5)
- N-(4-phenoxyphenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine (CAS 241488-37-9)
- Ledipasvir Impurity 17 (CAS CATO-C4X-331317)
- N-benzyl-2-((4-chloro-N-(4-chlorophenyl)phenyl)sulfonamido)acetamide (CAS 337922-11-9)
- 4-Piperidinecarboxylic acid, 1-formyl-, (+)- (CAS 67659-33-0)
- (E)-N-({6-[(4-chlorophenyl)sulfanyl]pyridin-3-yl}methylidene)hydroxylamine 338967-02-5 6L-328S (CAS 338967-02-5)
- (R)-4-Benzyl-5-(hydroxymethyl)morpholin-3-one (CAS 1266238-73-6)
- 5-Amino-3-bromo-6-chloropyrazine-2-carboxylic acid (CAS 1936595-24-2)
- Ethyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)benzoate (CAS 105626-86-6)
- 2-(2-(1,3-Dioxolan-2-yl)piperidin-1-yl)ethan-1-ol (CAS 1376044-16-4)
- 3-(4-Chlorobenzyl)-2-methyl-4H-pyran-4-one (CAS 400087-29-8)
- Pemafibrate Impurity 15 (CAS CATO-C4X-290315)
- 1-(3-Methoxy-phenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde (CAS 700854-99-5)
- Semaglutide Impurity 176 (CAS CATO-C4X-2226176)
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