N-(3,4-dimethoxyphenethyl)-2-((3,4,4-trifluorobut-3-en-1-yl)thio)nicotinamide CAS 478247-66-4
| CAS No. | 478247-66-4 |
| Molecular Formula | C20H21F3N2O3S |
| Molecular Weight | 426.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies N-(3,4-dimethoxyphenethyl)-2-((3,4,4-trifluorobut-3-en-1-yl)thio)nicotinamide (CAS 478247-66-4), a certified reference material (molecular formula C20H21F3N2O3S, MW 426.45 g/mol) for analytical method development and quality control.
Structurally, N-(3,4-dimethoxyphenethyl)-2-((3,4,4-trifluorobut-3-en-1-yl)thio)nicotinamide (C20H21F3N2O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 426.45 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C20H21F3N2O3S |
| Molecular Weight | 426.45 g/mol |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related N Standards
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