(2E)-1-{3-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-3-[(4-phenoxyphenyl)amino]prop-2-en-1-one CAS 478039-76-8
| CAS No. | 478039-76-8 |
| Molecular Formula | C28H21ClFNO3 |
| Molecular Weight | 473.92 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (2E)-1-{3-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-3-[(4-phenoxyphenyl)amino]prop-2-en-1-one.
(2E)-1-{3-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-3-[(4-phenoxyphenyl)amino]prop-2-en-1-one (CAS 478039-76-8), molecular formula C28H21ClFNO3 and molecular weight 473.92 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (2E)-1-{3-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-3-[(4-phenoxyphenyl)amino]prop-2-en-1-one (C28H21ClFNO3) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C28H21ClFNO3 |
| Molecular Weight | 473.92 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
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