3-(2-Chloro-6-fluorophenyl)-N-(3,4-dimethoxyphenethyl)-5-methylisoxazole-4-carboxamide CAS 442669-17-2
| CAS No. | 442669-17-2 |
| Molecular Formula | C21H20ClFN2O4 |
| Molecular Weight | 418.85 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 418.85 g/mol gives 3-(2-Chloro-6-fluorophenyl)-N-(3,4-dimethoxyphenethyl)-5-methylisoxazole-4-carboxamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(2-Chloro-6-fluorophenyl)-N-(3,4-dimethoxyphenethyl)-5-methylisoxazole-4-carboxamide (CAS 442669-17-2), molecular formula C21H20ClFN2O4 and molecular weight 418.85 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 3-(2-Chloro-6-fluorophenyl)-N-(3,4-dimethoxyphenethyl)-5-methylisoxazole-4-carboxamide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 418.85 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).
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 | C21H20ClFN2O4 |
| Molecular Weight | 418.85 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
- Benzyl 3-(4-chloro-2-fluorophenyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]Decane-8-carboxylate (CAS 1330750-59-8)
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Recommended Standards
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- tert-Butyl (1-(4-((6-chloro-3-nitropyridin-2-yl)amino)phenyl)cyclobutyl)carbamate (CAS 1313883-38-3)
- (3-(2-((4-Chlorobenzyl)oxy)phenyl)-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone (CAS 477713-40-9)
- 2-Chloro-N-(4-chloro-2,5-dimethoxyphenyl)-propanamide (CAS 956576-39-9)
- 2-(Chloromethyl)quinoline 1-oxide (CAS 76253-74-2)
- 2-(4-(Difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridin-3-yl)acetic acid (CAS 1806954-46-0)
- N-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride (CAS 2377610-84-7)
- 7-(Isoquinolin-5-yloxy)isoquinoline (CAS 57422-16-9)
- 5-(chloromethyl)-N,N-dimethylpyridin-2-amine (CAS 1248994-14-0)
- N-(2-Methoxybenzyl)thieno[3,2-d]pyrimidin-4-amine (CAS 930507-80-5)
- 4-(2-Methoxybenzyl)-1,4-diazepan-5-one (CAS 1220030-54-5)
- 5-(4-Bromobenzyl)-4H-1,2,4-triazol-3-amine (CAS 502685-91-8)
- Galanin-Like Peptide (human) trifluoroacetate salt (CAS 245114-99-2)
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