S-phenyl 1-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)-2-oxo-1,2-dihydropyridine-3-carbothioate CAS 400084-66-4
| CAS No. | 400084-66-4 |
| Molecular Formula | C20H13F2NO4S |
| Molecular Weight | 401.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 401.38 g/mol gives S-phenyl 1-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)-2-oxo-1,2-dihydropyridine-3-carbothioate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies S-phenyl 1-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)-2-oxo-1,2-dihydropyridine-3-carbothioate (CAS 400084-66-4), a certified reference material (molecular formula C20H13F2NO4S, MW 401.38 g/mol) for analytical method development and quality control.
The molecular framework of S-phenyl 1-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)-2-oxo-1,2-dihydropyridine-3-carbothioate (C20H13F2NO4S) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C20H13F2NO4S |
| Molecular Weight | 401.38 g/mol |
| 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
- Methyl 3-(N-(2,4-difluorophenyl)sulfamoyl)-4-fluorobenzo[b]thiophene-2-carboxylate (CAS 950446-11-4)
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- Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-(ethoxycarbonyl)phenyl)amino)methyl)-1H-1,2,3-triazole-4-carboxylate (CAS 296790-47-1)
- Benzyl 5-((diethoxyphosphoryl)methyl)-1H-indole-2-carboxylate (CAS 1233086-47-9)
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