(2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one CAS 478078-52-3
| CAS No. | 478078-52-3 |
| Molecular Formula | C20H18BrClN2O3 |
| Molecular Weight | 449.73 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one (CAS 478078-52-3), molecular formula C20H18BrClN2O3 and molecular weight 449.73 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-1-[4-(4-chlorophenyl)piperazin-1-yl]prop-2-en-1-one (C20H18BrClN2O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 449.73 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), (2E)-3-(6-Bromo-2H-1,3-benzodioxol-5-yl)-1-[4-(4-chlorophenyl)piperazin-1-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 | C20H18BrClN2O3 |
| Molecular Weight | 449.73 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 | Cl/Br-containing |
| Nitrogen Atoms | 2 |
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- 1-o-Tolyl-pyrimidine-2,4,6-trione (CAS 107147-53-5)
- trans-3-Amino-2,2-dimethylcyclobutanecarboxylic acid hydrochloride (CAS 1392803-36-9)
- N-(4-(2,5-Dimethylphenyl)thiazol-2-yl)isoxazole-5-carboxamide (CAS 919759-02-7)
- 2-Bromo-5-methyloxazole-4-carbaldehyde (CAS 1240598-14-4)
- 3-(tert-Butoxy)pyridine (CAS 31776-90-6)
- 5,6-Dimethylpyridine-2,4-dicarboxylic acid (CAS 2720619-95-2)
- Semaglutide impurity 237 (CAS CATO-C4X-2226237)
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