2-Chloro-1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl]ethanone CAS 730949-62-9
| CAS No. | 730949-62-9 |
| Molecular Formula | C26H34ClNO5 |
| Molecular Weight | 476.00 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-Chloro-1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl]ethanone (CAS 730949-62-9), molecular formula C26H34ClNO5 and molecular weight 476.00 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-Chloro-1-[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl]ethanone (C26H34ClNO5) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine 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 476.00 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C26H34ClNO5 |
| Molecular Weight | 476.00 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.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chloro Standards
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Recommended Standards
- (2Z)-3-[4-(4-Chlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]-2-(3,4-dimethoxyphenyl)prop-2-enenitrile (CAS 383147-95-3)
- 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole (CAS 338401-66-4)
- Bepotastine Impurity 15 (CAS CATO-C4X-183915)
- Oxazole, 2,2′-(tellurodi-2,1-phenylene)bis[4,5-dihydro-4,4-dimethyl- (CAS 287111-52-8)
- 4-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]butan-1-amine dihydrochloride (CAS 1955532-05-4)
- 2-(Methylsulfanyl)-4-(phenylsulfanyl)quinazoline (CAS 477845-93-5)
- 5-Azaspiro[2.3]hexane Hydrochloride (CAS 1536169-63-7)
- 3-(4-Nitrophenyl)-5,6-dihydroimidazo[2,1-b]thiazole (CAS 40229-93-4)
- 3-Isopropyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CAS 2223036-04-0)
- 2-(2-(1-Methyl-1H-pyrrol-3-yl)-2-oxoethyl)isoindoline-1,3-dione (CAS 1089537-86-9)
- 3-Oxo-7-azaspiro[3.5]nonane-7-carboxylate tert-butyl ester 849203-60-7 1-Oxo-7-Boc-7-azaspiro[3.5]nonane (CAS 849203-60-7)
- 2-(Chloromethyl)-3-(difluoromethyl)-4-methylpyridine-6-carboxaldehyde (CAS 1361884-63-0)
- Ethyl 4-(2-naphthoyl)isoxazole-3-carboxylate (CAS 952182-79-5)
- Semaglutide238 (CAS CATO-C4X-2226238)
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