4-Butoxy-6-chloro-3-(hydroxymethyl)-2-propylisoquinolin-1(2H)-one CAS 447420-12-4
| CAS No. | 447420-12-4 |
| Molecular Formula | C17H22ClNO3 |
| Molecular Weight | 323.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 4-Butoxy-6-chloro-3-(hydroxymethyl)-2-propylisoquinolin-1(2H)-one (CAS 447420-12-4), a certified reference material (molecular formula C17H22ClNO3, MW 323.81 g/mol) for analytical method development and quality control.
Based on its molecular formula C17H22ClNO3, 4-Butoxy-6-chloro-3-(hydroxymethyl)-2-propylisoquinolin-1(2H)-one contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 323.81 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H22ClNO3 |
| Molecular Weight | 323.81 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 1-(Difluoromethyl)-2-oxabicyclo[2.2.2]Octan-4-amine (CAS 2170372-48-0)
- (E)-3-(4-(dimethylamino)phenyl)-1-(4-nitrophenyl)prop-2-en-1-one (CAS 20431-58-7)
- 3-Chloro-6-methoxy-1-methyl-1H-indole-2-carboxylic acid (CAS 1355179-52-0)
- (2-(3-Methoxypropoxy)phenyl)boronic acid (CAS 1122568-12-0)
- 1-((2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidine-2,4(1H,3H)-dione (CAS 149819-44-3)
- 1-BRomo-4-ethoxy-2,5-dimethylbenzene (CAS 482355-53-3)
- 6-Fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole (CAS 1178903-34-8)
- 3-(5-Chlorothiophen-2-yl)pyridine (CAS 859239-16-0)
- 2-[1-(propan-2-yl)pyrrolidin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid (CAS 1895713-87-7)
- Peptide 440 (CAS CATO-CPTD788440)
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