Ethyl 2-(2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate CAS 445383-14-2
| CAS No. | 445383-14-2 |
| Molecular Formula | C21H20F3N3O3S2 |
| Molecular Weight | 483.53 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.
Ethyl 2-(2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 445383-14-2) is a high-purity analytical reference standard with the molecular formula C21H20F3N3O3S2 and a molecular weight of 483.53 g/mol.
Based on its molecular formula C21H20F3N3O3S2, Ethyl 2-(2-((3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 483.53 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C21H20F3N3O3S2 |
| Molecular Weight | 483.53 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Ethyl Standards
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Recommended Standards
- (4AR,6S,7R,8R,8aS)-7-(1,3-dioxoisoindolin-2-yl)-6-(ethylthio)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl acetate (CAS 125520-04-9)
- rel-(4R,5S)-2,4,5-Trimethyl-4,5-dihydrothiazole (CAS 23236-43-3)
- Etrasimod Impurity 68 (CAS CATO-C4X-321468)
- Atorvastatin Impurity 125 (CAS 1821498-27-4)
- 301225-40-1 tert-Butyl 4-(2-pyrimidinylamino)tetrahydro-1(2H)-pyridinecarboxylate MFCD04117813 (CAS 301225-40-1)
- 1-Methyl-1H-pyrazole-4,5-diamine (CAS 45514-38-3)
- Ethyl 1-(4-acetyl-2-nitrophenyl)piperidine-4-carboxylate (CAS 217489-84-4)
- 9,12-Octadecadienoic acid (9Z,12Z)-, dimer, polymer with 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bis[oxirane] and 2-methyl-2-propenoic acid (CAS 68992-10-9)
- 2-Ethyl-2-(hydroxymethyl)butanenitrile (CAS 1306738-95-3)
- 5-Chlorothiazole-2-carboxylic Acid (CAS 101012-16-2)
- 2-Chloro-n-(prop-2-en-1-yl)pyridine-3-carboxamide (CAS 545372-93-8)
- tert-Butyl (S)-4-amino-3,3-dimethylpiperidine-1-carboxylate (CAS 1357600-60-2)
- 4-Chloro-N,N,5-trimethylpyrimidin-2-amine (CAS 71406-68-3)
- Tirzepatide Impurity 25 X TFA Salt (CAS CATO-C4X-324025)
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