(2E)-3-[(4-Chloro-2-methylphenyl)amino]-1-[3-(3-fluorophenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one CAS 383147-96-4
| CAS No. | 383147-96-4 |
| Molecular Formula | C23H16ClFN2O2 |
| Molecular Weight | 406.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(2E)-3-[(4-Chloro-2-methylphenyl)amino]-1-[3-(3-fluorophenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one (CAS 383147-96-4), molecular formula C23H16ClFN2O2 and molecular weight 406.84 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (2E)-3-[(4-Chloro-2-methylphenyl)amino]-1-[3-(3-fluorophenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one (C23H16ClFN2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 406.84 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
As a certified reference material (CRM), (2E)-3-[(4-Chloro-2-methylphenyl)amino]-1-[3-(3-fluorophenyl)-2,1-benzoxazol-5-yl]prop-2-en-1-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C23H16ClFN2O2 |
| Molecular Weight | 406.84 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related E Standards
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Recommended Standards
- Avanafil Impurity 50 (CAS CATO-C4X-111850)
- (3-Chlorophenyl)(3-(2-((4-fluorobenzyl)oxy)phenyl)-1H-pyrazol-1-yl)methanone (CAS 477713-47-6)
- Avanafil Impurity 41 (CAS CATO-C4X-111841)
- (4-Fluorophenyl)methyl N-[2-(4-chlorophenyl)quinolin-4-yl]carbamate (CAS 338401-43-7)
- (E)-5-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenol (CAS 344402-10-4)
- 3-Fluoro-4-(trifluoromethyl)benzyl chloride (CAS 444915-54-2)
- 3-(3-Azetidinyl)quinoline (CAS 1260797-09-8)
- 1-(1-(3,5-Dimethoxyphenyl)cyclobutyl)-3-methylbutan-1-amine (CAS 2241052-36-6)
- N-Ethyl-1H-imidazole-2-carboxamide (CAS 79711-56-1)
- 1,3-Benzenedicarboxylic acid, polymer with 2,2'-oxybis[ethanol] and 1,2-propanediol (CAS 54975-08-5)
- 6-Cyanobenzo[b]thiophene-2-carboxylic acid (CAS 105212-28-0)
- 4-(5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)pyrazin-2-yl)-6-(3,6-dihydro-2H-pyran-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CAS CATO-C3D-262145)
- 2-(5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl)acetic acid (CAS 1785610-37-8)
- Pancreatic Polypeptide (bovine) (CAS 179986-89-1)
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