n-[3-(4-tert-Butylbenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide CAS 792954-17-7
| CAS No. | 792954-17-7 |
| Molecular Formula | C22H26ClNO2S |
| Molecular Weight | 403.97 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies n-[3-(4-tert-Butylbenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide (CAS 792954-17-7), a certified reference material (molecular formula C22H26ClNO2S, MW 403.97 g/mol) for analytical method development and quality control.
Structurally, n-[3-(4-tert-Butylbenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide (C22H26ClNO2S) contains a steroid core, an amide group, a sulfone 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 403.97 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
As a certified reference material (CRM), n-[3-(4-tert-Butylbenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C22H26ClNO2S |
| Molecular Weight | 403.97 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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 |
| Sulfur Atoms | 1 |
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