((2R,3R,4S,5R)-3-(Benzoyloxy)-4-fluoro-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl benzoate CAS 97614-47-6
| CAS No. | 97614-47-6 |
| Molecular Formula | C24H21FN2O7 |
| Molecular Weight | 468.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, ((2R,3R,4S,5R)-3-(Benzoyloxy)-4-fluoro-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl benzoate (C24H21FN2O7) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 468.43 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.
((2R,3R,4S,5R)-3-(Benzoyloxy)-4-fluoro-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl benzoate (CAS 97614-47-6) is a high-purity analytical reference standard with the molecular formula C24H21FN2O7 and a molecular weight of 468.43 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 | C24H21FN2O7 |
| Molecular Weight | 468.43 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- ((2S,3S,4S,5S)-3-(benzoyloxy)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-4-methyltetrahydrofuran-2-yl)methyl benzoate (CAS 1946820-95-6)
- 4-Bromo-N,N-bis(4-butoxyphenyl)aniline (CAS 666711-17-7)
- Tert-butyl ((5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl)(2,2,2-trifluoroethyl)carbamate (CAS 1456803-34-1)
- 7-Bromo-9,9-diethyl-N,N-diphenyl-9H-fluoren-2-amine (CAS 202831-64-9)
- 4-Hydroxypiperidine-2-carbonitrile (CAS 2092345-86-1)
- (1-Cyanocyclobutyl)methyl 4-methylbenzenesulfonate (CAS 1523618-15-6)
- 5-((5-Methylfuran-2-yl)methyl)thiazol-2-amine (CAS 308104-99-6)
- Hydrocortisone 21-phosphate (CAS 3863-59-0)
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- TOC In Water (CAS CATO-CCRM106097)
- 5-Deoxy-L-ribose phenylhydrazone (CAS 123168-30-9)
- Atrasentan Impurity 154 (CAS 1058404-07-1)
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