(E)-3-(4,5-dimethoxy-2-nitrophenyl)-1-(4-(4-fluorophenyl)piperazin-1-yl)prop-2-en-1-one CAS 329080-31-1
| CAS No. | 329080-31-1 |
| Molecular Formula | C21H22FN3O5 |
| Molecular Weight | 415.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(E)-3-(4,5-dimethoxy-2-nitrophenyl)-1-(4-(4-fluorophenyl)piperazin-1-yl)prop-2-en-1-one (CAS 329080-31-1) is a high-purity analytical reference standard with the molecular formula C21H22FN3O5 and a molecular weight of 415.41 g/mol.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, (E)-3-(4,5-dimethoxy-2-nitrophenyl)-1-(4-(4-fluorophenyl)piperazin-1-yl)prop-2-en-1-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 415.41 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C21H22FN3O5 |
| Molecular Weight | 415.41 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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 | F-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
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- Methyl 3-[N-(2-fluorobenzoyl)2-fluorobenzamido]-4-methylthiophene-2-carboxylate (CAS 866150-48-3)
- N-[4-[(Trifluoroacetyl)amino]benzoyl]-L-glutamic Acid Dimethyl Ester (CAS 233600-78-7)
- 9,9-Bis[4-[N-(1-naphthyl)anilino]phenyl]fluorene (CAS 510775-24-3)
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- (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-([1,1'-biphenyl]-2-ylmethyl)propanoic acid (CAS 1260614-15-0)
- (S)-2,2,4,6,6-Pentamethyl-7,7a-dihydrobenzo[d][1,3]dioxol-5(6H)-one (CAS 80736-99-8)
- 4-Amino-1-ethyl-1,2-dihydropyridin-2-one hydrochloride (CAS 1523618-09-8)
- Ethyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate (CAS 1956379-74-0)
- Antiarrhythmic peptide (cattle atrium) (CAS 81771-37-1)
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