3-[6-(Acetylamino)-3-pyridinyl]-N-[2-[[2,4-dichloro-3-[[(2-methyl-8-quinolinyl)oxy]methyl]phenyl]methylamino]-2-oxoethyl]-(E)-2-propenamide CAS 167838-64-4
| CAS No. | 167838-64-4 |
| Molecular Formula | C30H27Cl2N5O4 |
| Molecular Weight | 592.47 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies 3-[6-(Acetylamino)-3-pyridinyl]-N-[2-[[2,4-dichloro-3-[[(2-methyl-8-quinolinyl)oxy]methyl]phenyl]methylamino]-2-oxoethyl]-(E)-2-propenamide (CAS 167838-64-4), a certified reference material (molecular formula C30H27Cl2N5O4, MW 592.47 g/mol) for analytical method development and quality control.
Structurally, 3-[6-(Acetylamino)-3-pyridinyl]-N-[2-[[2,4-dichloro-3-[[(2-methyl-8-quinolinyl)oxy]methyl]phenyl]methylamino]-2-oxoethyl]-(E)-2-propenamide (C30H27Cl2N5O4) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 19.0, corresponding to approximately 19 ring(s) or double-bond equivalent(s). With a molecular weight of 592.47 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C30H27Cl2N5O4 |
| Molecular Weight | 592.47 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 19.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2004 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
Related Acetylamino Standards
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Recommended Standards
- (R)-tert-Butyl 6-(5-(7-bromo-9,9,10,10-tetrafluoro-9,10-dihydrophenanthren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate (CAS 1956437-20-9)
- Calcium D-gluconate lactobionate (CAS 97635-31-9)
- Didecyl (perchloropyridin-4-yl)phosphoramidate (CAS 55733-28-3)
- N1-(5-Bromopyridin-2-yl)-N2-((1S,2R,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide (Edoxaban Impurity) (CAS 775280-48-3)
- N-(3-Bromophenyl)-2-methoxybenzamide (CAS 304672-92-2)
- 2-Propenoic acid, 2-methyl-, methyl ester, polymer with 2-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethyl 2-methyl-2-propenoate (CAS 25300-73-6)
- NH2-C2-amido-C2-Boc (CAS 1692613-62-9)
- Alizarin complexone (CAS #N/A)
- tert-Butyl 3-amino-4-fluoropiperidine-1-carboxylate (CAS 1334414-00-4)
- 1,3,5-Tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane (CAS 80458-17-9)
- 2-{pyrazolo[1,5-a]pyrimidin-7-ylmethyl}-2,3-dihydro-1H-isoindole-1,3-dione (CAS 746677-39-4)
- 5-Chloro-1-cyclohexyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 1355217-22-9)
- 6-Chloro-5-(difluoromethyl)-4-hydroxypicolinaldehyde (CAS 1806932-22-8)
- Mitogenic Pentapeptide (CAS 87173-03-3)
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