((2R,3R,4S,5R)-3-(Benzoyloxy)-4-fluoro-5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl benzoate CAS 952651-49-9
| CAS No. | 952651-49-9 |
| Molecular Formula | C23H18F2N2O7 |
| Molecular Weight | 472.40 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,4S,5R)-3-(Benzoyloxy)-4-fluoro-5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl benzoate (CAS 952651-49-9) is a high-purity analytical reference standard with the molecular formula C23H18F2N2O7 and a molecular weight of 472.40 g/mol.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, ((2R,3R,4S,5R)-3-(Benzoyloxy)-4-fluoro-5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl benzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 472.40 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C23H18F2N2O7 |
| Molecular Weight | 472.40 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- ((2S,3S,4R,5R)-3-(benzoyloxy)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,4-difluorotetrahydrofuran-2-yl)methyl benzoate (CAS 1612841-23-2)
- (-)-Epigallocatechin 3-(4"-O-methyl)gallate (CAS 224434-07-5)
- Gemcitabine Impurity 30 (CAS 143157-27-1)
- 4-(4-Bromophenyl)-3-((naphthalen-1-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazole (CAS 763139-03-3)
- (2E)-3-(4-Isopropoxyphenyl)acrylic acid (CAS 586960-22-7)
- N-BENZYL-3-PYRIDINEMETHYLAMINE (CAS 63361-56-8)
- 5-Bromo-6-(4-fluorophenyl)-pyridin-2-ylamine (CAS 1817741-80-2)
- 6-Bromo-2-iodoquinoxaline (CAS 1083181-44-5)
- Methyl 2-chloro-5-(4,4,6-trimethyl-1,3,2-dioxaborinan-2-yl)benzoate (CAS 2096998-11-5)
- Oxan-2-ylmethyl methanesulfonate (CAS 99335-60-1)
- 1-(Ethoxymethyl)-1H-pyrrole-2-carbonyl chloride (CAS 714957-07-0)
- 2,2'-(1,3,4,-Oxadiazole-2,5-diyl)bis[1-amino-9,10-anthracenedione (CAS 52591-25-0)
- 2-Isobutoxy-3-methylaniline (CAS 1375069-03-6)
- FLAG Epitope Peptide (CAS 98849-88-8)
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