2-((5-(4-Bromophenyl)-1-ethyl-1H-imidazol-2-yl)thio)-1-(piperidin-1-yl)ethan-1-one CAS 1207004-06-5
| CAS No. | 1207004-06-5 |
| Molecular Formula | C18H22BrN3OS |
| Molecular Weight | 408.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-((5-(4-Bromophenyl)-1-ethyl-1H-imidazol-2-yl)thio)-1-(piperidin-1-yl)ethan-1-one is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 2-((5-(4-Bromophenyl)-1-ethyl-1H-imidazol-2-yl)thio)-1-(piperidin-1-yl)ethan-1-one (CAS 1207004-06-5), a certified reference material (molecular formula C18H22BrN3OS, MW 408.36 g/mol) for analytical method development and quality control.
Structurally, 2-((5-(4-Bromophenyl)-1-ethyl-1H-imidazol-2-yl)thio)-1-(piperidin-1-yl)ethan-1-one (C18H22BrN3OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 408.36 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C18H22BrN3OS |
| Molecular Weight | 408.36 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 1-(3,5-bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea (CAS 13795-11-4)
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- Ticagrelor Impurity 16 (CAS CATO-C4X-109316)
- 1-(4-fluoro-2-methoxyphenyl)piperazine (CAS 102392-11-0)
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- 4,4,5,5-Tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3,2-dioxaborolane (CAS 627526-50-5)
- (S)-2-((tert-Butoxycarbonyl)amino)-3-(((2-phenylacetamido)methyl)thio)propanoic acid (CAS 57084-73-8)
- 4-(8-Fluoro-6-oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-yl)benzaldehyde, 97% (CAS 283173-84-2)
- Neuropeptide Y (13-36) (porcine) (CAS 113662-54-7)
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