3-[(4-Bromophenyl)methyl]-16,19-dimethoxy-3,21-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4(9),5,7,13,15(20),16,18-nonaene CAS 860787-06-0
| CAS No. | 860787-06-0 |
| Molecular Formula | C28H23BrN2O2 |
| Molecular Weight | 499.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C28H23BrN2O2, 3-[(4-Bromophenyl)methyl]-16,19-dimethoxy-3,21-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4(9),5,7,13,15(20),16,18-nonaene contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 499.40 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
CATO supplies 3-[(4-Bromophenyl)methyl]-16,19-dimethoxy-3,21-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4(9),5,7,13,15(20),16,18-nonaene (CAS 860787-06-0), a certified reference material (molecular formula C28H23BrN2O2, MW 499.40 g/mol) for analytical method development and quality control.
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 | C28H23BrN2O2 |
| Molecular Weight | 499.40 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- 1-(5-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-indol-3-yl)-2,2-dimethylpropan-1-one (CAS 2390149-38-7)
- Ethyl 3-(3-(naphthalen-1-yloxy)propyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate (CAS 1073493-76-1)
- Methyl ((S)-1-((S)-2-(5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate (CAS 1228552-12-2)
- 1-(2,4-Dichlorobenzyl)-3-(4-ethyl-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)pyridin-2(1H)-one (CAS 477853-24-0)
- (2R,3S)-3-(1H-Benzo[d]imidazol-1-yl)butan-2-ol (CAS 475215-55-5)
- Methyl (2S,4S)-4-[(tetrahydro-2H-pyran-4-ylcarbonyl)oxy]-2-pyrrolidinecarboxylate hydrochloride (CAS 1354486-82-0)
- N-methylpyrrolidine-3-sulfonamide;hydrochloride (CAS 1423025-73-3)
- 2-Amino-7-methyl-4-(2-methylpropyl)-5-oxo-4H,5H-pyrano[3,2-c]pyran-3-carbonitrile (CAS 488826-80-8)
- 5-Ethyl-4-(1-tosylethyl)-1-(4-(trifluoromethoxy)phenyl)-1,3-dihydro-2H-imidazol-2-one (CAS 439096-02-3)
- 1,4-Dimethyl-3-(p-tolyl)-1h-pyrazol-5-amine (CAS 1152681-87-2)
- 2-(Hydroxymethyl)-5-(propan-2-yl)phenol (CAS 111044-81-6)
- Azilsartan Impurity 133 (CAS CATO-C4X-1096133)
- 3-Chloro-4-iodo-1H-pyrazolo[3,4-b]pyridine (CAS 1160502-23-7)
- [3-31]-Semaglutide D (Sodium salt) (CAS CATO-C4X-2226119)
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