2-[4-(4-Bromobenzenesulfonyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile CAS 478081-74-2
| CAS No. | 478081-74-2 |
| Molecular Formula | C18H19BrN4O2S |
| Molecular Weight | 435.34 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.
2-[4-(4-Bromobenzenesulfonyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile (CAS 478081-74-2) is a high-purity analytical reference standard with the molecular formula C18H19BrN4O2S and a molecular weight of 435.34 g/mol.
Based on its molecular formula C18H19BrN4O2S, 2-[4-(4-Bromobenzenesulfonyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 435.34 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).
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 | C18H19BrN4O2S |
| Molecular Weight | 435.34 g/mol |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Bromobenzenesulfonyl Standards
- N-[2-(4-Bromobenzenesulfonyl)ethyl]-3-(trifluoromethyl)benzamide (CAS 338956-10-8)
- 3-(4-Bromobenzenesulfonyl)-N-(4-chlorophenyl)-2-hydroxy-2-methylpropanamide (CAS 338423-93-1)
- 2-[4-(4-Bromobenzenesulfonyl)piperazin-1-yl]-1,3-benzothiazole (CAS 478077-05-3)
- 1-(4-Bromobenzenesulfonyl)-3-[4-(3-fluoropropoxy)phenyl]-1H-pyrazole (CAS 477711-13-0)
- 1'-(4-Bromobenzenesulfonyl)-[1,4'-bipiperidine]-4'-carboxamide (CAS 866017-84-7)
- 1-(4-Bromobenzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-2-carboxamide (CAS 317377-74-5)
- 1-(4-Bromobenzenesulfonyl)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide (CAS 317377-68-7)
- (2E)-2-(4-Bromobenzenesulfonyl)-3-(5,7-dimethyl-4-oxo-4H-chromen-3-yl)prop-2-enenitrile (CAS 1025255-71-3)
Recommended Standards
- 2-((5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(1-cyanocyclohexyl)propanamide (CAS 875161-01-6)
- 5-((4-Bromophenyl)thio)-1,3-diphenyl-1H-pyrazole-4-carbaldehyde (CAS 956183-52-1)
- (E)-3-((3,5-bis(trifluoromethyl)phenyl)amino)-1-(4-(3-fluoropropoxy)phenyl)prop-2-en-1-one (CAS 477889-15-9)
- Aprepitant Impurity 22 (CAS 934540-48-4)
- (S)-(4-Nitrophenyl)oxirane (CAS 78038-42-3)
- 1-(2-Methyl-2,3-dihydrobenzofuran-5-yl)cyclopropan-1-ol (CAS 1247183-42-1)
- 3-Hydroxy-3-(tetrahydro-2h-pyran-3-yl)propanoic acid (CAS 1344061-76-2)
- Methyl 3-(butylsulfamoyl)benzoate (CAS 1147486-05-2)
- (5-Chloro-2,3-dimethoxypyridin-4-yl)methanol (CAS 1305324-85-9)
- sodium 5-phenyl-1,3-oxazole-2-carboxylate (CAS 1329698-96-5)
- 1-(3-aminopropyl)-5-bromo-1,2-dihydropyridin-2-one hydrochloride (CAS 1181458-99-0)
- 6-chloropyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS 914206-75-0)
- 2,6,10,14,18-Pentamethylnonadecane (CAS 55191-61-2)
- Q-Peptide trifluoroacetate salt (CAS 1361235-89-3)
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