1-[(2,2-Difluoro-2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide CAS 400082-70-4
| CAS No. | 400082-70-4 |
| Molecular Formula | C21H13F5N2O4 |
| Molecular Weight | 452.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1-[(2,2-Difluoro-2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide (CAS 400082-70-4) is a high-purity analytical reference standard with the molecular formula C21H13F5N2O4 and a molecular weight of 452.33 g/mol.
Structurally, 1-[(2,2-Difluoro-2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide (C21H13F5N2O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 452.33 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C21H13F5N2O4 |
| Molecular Weight | 452.33 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Difluoro Standards
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Recommended Standards
- 1-((2,2-Difluorobenzo[d][1,3]dioxol-5-yl)methyl)-2-oxo-N-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide (CAS 400082-69-1)
- 4-{3-[4-(3,4-Dichlorobenzyl)-morpholin-2-ylmethyl]-ureidomethyl}-benzoic acid (CAS 408304-11-0)
- 1-((2,2-Difluorobenzo[d][1,3]dioxol-5-yl)methyl)-2-oxo-N-(2-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide (CAS 400082-68-0)
- Ethyl 7-bromo-3-(3-(naphthalen-1-yloxy)propyl)-1H-indole-2-carboxylate (CAS 1073067-98-7)
- (4-Chloro-1-ethyl-1h-pyrazol-3-yl)methanol (CAS 1310379-55-5)
- 2-Oxo-2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)ethyl 2-(methylthio)nicotinate (CAS 380487-89-8)
- (2-Azabicyclo[2.2.1]Heptan-1-yl)methanol (CAS 1785333-54-1)
- 1,2-Dipalmitoyl-<I>sn</I>-glycerol-3-phosphate sodium salt (CAS 105381-36-0)
- Butanol, fluoro-(mix) (CAS 61599-24-4)
- 2,5-Dimethylcinnamic acid (CAS 95883-10-6)
- (3-(Methoxycarbonyl)-5-nitrophenyl)boronic acid (CAS 117342-20-8)
- 4-(4-(Benzyloxy)-2-methylbenzoyl)-1-(2-(dimethylamino)ethyl)-5-(3-ethoxy-4-hydroxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 498537-61-4)
- 3-((tert-Butoxycarbonyl)(methyl)amino)-2,2-dimethylpropanoic acid (CAS 1199775-03-5)
- Semaglutide impurity 206 (CAS CATO-C4X-2226206)
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