Propyl 4-(3-bromo-4-fluorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate CAS 503591-71-7
| CAS No. | 503591-71-7 |
| Molecular Formula | C28H29BrFNO5 |
| Molecular Weight | 558.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C28H29BrFNO5, Propyl 4-(3-bromo-4-fluorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 558.44 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Propyl 4-(3-bromo-4-fluorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 503591-71-7) is a high-purity analytical reference standard with the molecular formula C28H29BrFNO5 and a molecular weight of 558.44 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C28H29BrFNO5 |
| Molecular Weight | 558.44 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 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Related Propyl Standards
- 5-Bromo-2-(3-bromo-5-(4-fluorophenyl)-1H-pyrazol-1-yl)-4-(4-bromophenyl)thiazole (CAS 956185-38-9)
- 4-(2-((5-Bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-chlorobenzoic acid (CAS 878670-61-2)
- (3α,5β,6α,7α)-6-Bromo-3-[(ethoxycarbonyl)oxy]-7-hydroxycholan-24-oic Acid Methyl Ester (CAS 125112-74-5)
- 10-Bromo-10'-(2-naphthyl)-9,9'-bianthracene (CAS 1172087-81-8)
- 5-Bromo-1-((3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)methyl)indoline-2,3-dione (CAS 337932-32-8)
- 1-(2-(4-Bromo-2-fluorophenoxy)ethyl)-4-((tert-butyldiphenylsilyl)oxy)piperidine (CAS 1704082-78-9)
- 1-(5-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-indol-3-yl)-2,2-dimethylpropan-1-one (CAS 2390149-40-1)
- 1-(7-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-indol-3-yl)-2,2-dimethylpropan-1-one (CAS 2390149-41-2)
Recommended Standards
- 5-(4-Bromophenyl)-3-(1,2-dihydro-6-methyl-2-oxo-4-phenyl-3-quinolinyl)-4,5-dihydro-γ-oxo-1H-Pyrazole-1-butanoic Acid (CAS 380560-89-4)
- 271565679C 14736-58-4 Garcinia biflavonoid 1 (3,8'-Bi-4H-1-benzopyran)-4,4'-dione, 2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2S-(2alpha,3beta(2'S*,3'S*)))- GB1 Garcinia UNII-271565679C (CAS 14736-58-4)
- 2-((4-(2-Chlorophenyl)-6-(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide (CAS 332372-39-1)
- (2S,2'S,3R)-2'-(3,4-Dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-[3,8'-bichromane]-4,4'-dione (CAS 18412-96-9)
- N-(2-(ethylamino)ethyl)-2,4-dihydroxyquinoline-3-carboxamide (CAS 378199-95-2)
- (6-Methoxyimidazo[2,1-b]thiazol-5-yl)methanol (CAS 930395-91-8)
- 20717-79-7 1-Bromo-2-naphtoic acid MFCD00021408 1-Bromo-2-naphthalenecarboxylic acid (CAS 20717-79-7)
- 2-(3-Bromobenzoyl)-N-methylhydrazine-1-carboxamide (CAS 356568-31-5)
- N-Hydroxypyrazine-2-carboxamide (CAS 768-06-9)
- Metalaxyl-D6 (CAS CATO-CCAD304122)
- Diethyl 2,2-dibenzylmalonate (CAS 597-55-7)
- {7-oxabicyclo[2.2.1]heptan-1-yl}methanesulfonyl chloride (CAS 2091597-91-8)
- 5-(3,4-dichlorophenyl)thiophene-2-carbaldehyde (CAS 926204-64-0)
- Cyclolinopeptide B (CAS 193139-41-2)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com