(4E)-2-[(2-Chloro-6-fluorophenyl)methyl]-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}pent-4-ene-1,3-dione CAS 478248-66-7
| CAS No. | 478248-66-7 |
| Molecular Formula | C23H19ClF4N4O3 |
| Molecular Weight | 510.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(4E)-2-[(2-Chloro-6-fluorophenyl)methyl]-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}pent-4-ene-1,3-dione (CAS 478248-66-7) is a high-purity analytical reference standard with the molecular formula C23H19ClF4N4O3 and a molecular weight of 510.87 g/mol.
(4E)-2-[(2-Chloro-6-fluorophenyl)methyl]-5-(dimethylamino)-1-{1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazol-4-yl}pent-4-ene-1,3-dione (C23H19ClF4N4O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
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 | C23H19ClF4N4O3 |
| Molecular Weight | 510.87 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/Cl-containing |
| Nitrogen Atoms | 4 |
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