(2R,3S)-2-(2,2-Bis(4-fluorophenyl)benzo[d][1,3]dioxol-5-yl)chromane-3,5,7-triol CAS 89329-09-9
| CAS No. | 89329-09-9 |
| Molecular Formula | C28H20F2O6 |
| Molecular Weight | 490.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(2R,3S)-2-(2,2-Bis(4-fluorophenyl)benzo[d][1,3]dioxol-5-yl)chromane-3,5,7-triol (CAS 89329-09-9), molecular formula C28H20F2O6 and molecular weight 490.45 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (2R,3S)-2-(2,2-Bis(4-fluorophenyl)benzo[d][1,3]dioxol-5-yl)chromane-3,5,7-triol (C28H20F2O6) contains a steroid core, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 18.0, corresponding to approximately 18 ring(s) or double-bond equivalent(s). With a molecular weight of 490.45 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.
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 | C28H20F2O6 |
| Molecular Weight | 490.45 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | F-containing |
Recommended Standards
- (R)-4-((S)-1-Fluoroethyl)-3-(2-(((S)-1-(4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl)ethyl)amino)pyrimidin-4-yl)oxazolidin-2-one (CAS 1628805-46-8)
- 2-((2-(3,4-Dihydroxyphenyl)-2-oxoethyl)thio)-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)nicotinonitrile (CAS 625376-44-5)
- Sitagliptin Impurity 161 (CAS 1608491-98-0)
- 2-((4-Allyl-5-(((3,4-dichlorophenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide (CAS 540498-20-2)
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- 2-(5-Bromothiophen-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (CAS 898379-45-8)
- (1H-indol-3-yl)(piperidin-3-yl)methanone (CAS 1092292-23-3)
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- Amoxicillin EP Impurity E-2 (CAS CATO-C4X-114873)
- 1-Phenyl-4-(trimethylsilyl)but-3-yn-2-ol (CAS 61077-69-8)
- 2-Cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(quinolin-8-yl)acrylamide (CAS 304896-21-7)
- 3-(Chloromethyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole (CAS 306936-06-1)
- Gastrin Tetrapeptide (CAS 1947-37-1)
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