Ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate CAS 4529-13-9
| CAS No. | 4529-13-9 |
| Molecular Formula | C23H28BrNO5 |
| Molecular Weight | 478.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 478.38 g/mol gives Ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 4529-13-9), molecular formula C23H28BrNO5 and molecular weight 478.38 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (C23H28BrNO5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 478.38 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.
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 | C23H28BrNO5 |
| Molecular Weight | 478.38 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- (2E)-1-{2-[(4-bromophenyl)sulfanyl]-4-methylquinolin-3-yl}-3-(4-fluorophenyl)prop-2-en-1-one (CAS 400074-53-5)
- 5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-3-(propan-2-yl)-2H,3H-imidazo[1,2-c]quinazolin-2-one (CAS 1023939-04-9)
- Tert-butyl (S)-4-(6-((5-bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)amino)pyridin-3-yl)-3-methylpiperazine-1-carboxylate (CAS 1433849-64-9)
- 5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-3-(propan-2-yl)-2H,3H-imidazo[1,2-c]quinazolin-2-one (CAS 1024597-10-1)
- 1-(2,4-Dichlorobenzyl)-N,N-dimethyl-1H-tetrazol-5-amine (CAS 338417-33-7)
- 1-methyl-4-(4-methyl-2,5-dioxoimidazolidin-4-yl)pyridin-1-ium iodide (CAS 1485425-65-7)
- 5-Chloro-4-methoxypyrimidin-2-amine (CAS 5750-77-6)
- 2-Butylamine (CAS 13952-84-6)
- 4-Benzyloxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester (CAS 40350-83-2)
- 3-Azepan-2-ylmethyl-benzo[b]thiophene-2-carboxylic acid amide hydrochloride (CAS 1185299-84-6)
- 2,6-dichloro-N,N-diethyl-3,5-dimethoxybenzamide (CAS 1803599-10-1)
- Bromhexine Impurity 34 (CAS 606-00-8)
- rel-(1R,2S,3R,5R)-3-(5-Amino-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol (CAS 88801-90-5)
- Serpent Peptide 2AcOH (CAS 823202-99-9(free base))
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