2-Chloro-N-{3-cyano-7,7-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide CAS 571149-79-6
| CAS No. | 571149-79-6 |
| Molecular Formula | C20H19ClN2OS2 |
| Molecular Weight | 402.96 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-Chloro-N-{3-cyano-7,7-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide (CAS 571149-79-6), molecular formula C20H19ClN2OS2 and molecular weight 402.96 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C20H19ClN2OS2, 2-Chloro-N-{3-cyano-7,7-dimethyl-5-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-6,7-dihydro-1-benzothiophen-2-yl}acetamide contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 402.96 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).
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.
Physical & Chemical Properties
| Molecular Formula | C20H19ClN2OS2 |
| Molecular Weight | 402.96 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Chloro Standards
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- N-(2-Chloro-4,6-dimethylphenyl)-2-((4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 585551-40-2)
- N-(3-Chloro-2-methylphenyl)-2-((4-ethyl-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 332882-53-8)
- N-(3-chloro-2-methylphenyl)-2-((5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 333312-78-0)
- N-(3-chloro-4-methylphenyl)-2-((5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 333312-76-8)
- N-(3-chloro-4-methylphenyl)-2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 335396-50-4)
- N-(5-chloro-2-methylphenyl)-2-(3,5-diphenyl-1H-1,2,4-triazol-1-yl)acetamide (CAS 332909-59-8)
Recommended Standards
- 1-(4-(Benzo[d]thiazol-2-yl)piperidin-1-yl)-2-((4-chlorophenyl)thio)ethan-1-one (CAS 478248-38-3)
- Clocinizine (CAS 298-55-5)
- 1-(4-(Benzo[d]thiazol-2-yl)piperidin-1-yl)-2-((2-chlorophenyl)thio)ethan-1-one (CAS 477847-56-6)
- Levothyroxine Impurity 36 (CAS 100130-56-1)
- Methyl 3-(2,4-difluorophenyl)-2-hydroxypropanoate (CAS 1490329-55-9)
- 5-Bromo-2-piperazino-4-picoline (CAS 944582-93-8)
- Methyl 5-(Boc-amino)-4-nitrothiophene-2-carboxylate (CAS 1351238-59-9)
- 727379-97-7 13C-Lactate (1-13C)Lactate (CAS 727379-97-7)
- (2S,5R)-Ethyl 5-((benzyloxy)amino)piperidine-2-carboxylate (CAS 1416134-47-8)
- 2-(3-methylbutoxy)benzoic acid 2-(isopentyloxy)benzoic acid 21023-51-8 (CAS 21023-51-8)
- 1-(3-Chloro-1-phenylpropyl)-1H-imidazole (CAS 1272758-38-9)
- 9,9'-Spirobi[fluoren]-2-yldiphenylphosphine oxide (CAS 1125547-88-7)
- trans-N-[4-(hydroxymethyl)cyclohexyl]ethanesulfonamide (CAS 2169920-32-3)
- Semaglutide impurity 210 (CAS CATO-C4X-2226210)
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