Ethyl 2-((3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl)thio)propanoate CAS 497246-11-4
| CAS No. | 497246-11-4 |
| Molecular Formula | C20H19F3N2O4S |
| Molecular Weight | 440.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), Ethyl 2-((3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl)thio)propanoate 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.
Ethyl 2-((3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl)thio)propanoate (CAS 497246-11-4), molecular formula C20H19F3N2O4S and molecular weight 440.44 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 2-((3-cyano-6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl)thio)propanoate (C20H19F3N2O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 440.44 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.
Physical & Chemical Properties
| Molecular Formula | C20H19F3N2O4S |
| Molecular Weight | 440.44 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 | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
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- 2-((7-Cyano-3,4-dihydro-2H-1,4-ethano-1,5-naphthyridin-6-yl)thio)-N-(3,4-dimethoxyphenethyl)acetamide (CAS 728001-60-3)
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Recommended Standards
- 5-Ethyl-4-(1-(phenylsulfonyl)ethyl)-1-(4-(trifluoromethoxy)phenyl)-1,3-dihydro-2H-imidazol-2-one (CAS 477848-59-2)
- Pharacine (CAS 63440-93-7)
- 4-(4-Phenylthiazol-2-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide (CAS 321429-85-0)
- Suberoylanilide hydroxamic acid β-d-glucuronide (CAS 863456-50-2)
- 2-(1-Methoxyethyl)-1,3-thiazole-4-carboxylic acid (CAS 955400-89-2)
- Acridine-9(10H)-thione (CAS 6540-78-9)
- 3-(Benzo[d]oxazol-2-ylthio)-1,1,1-trifluoropropan-2-ol (CAS 1406266-57-6)
- Cephalomannine Impurity 2 (CAS 183133-99-5)
- (2,3-Difluoro-4-heptylphenyl)boronic acid (CAS 126334-37-0)
- Ubenimex Impurity 2 (CAS 1654771-89-7)
- 1-((Tetrahydro-2h-pyran-2-yl)methyl)-1h-pyrazol-4-amine (CAS 1154976-92-7)
- 6145-18-2 Ethylene-13C1 DTXSID50482059 (CAS 6145-18-2)
- 754190-97-1 5-Methylthiophene-3-carbonyl chloride DTXSID90559653 (CAS 754190-97-1)
- Tirzepatide Impurity 16 (CAS CATO-C4X-324016)
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