2-{[6-(2H-1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide CAS 625378-07-6
| CAS No. | 625378-07-6 |
| Molecular Formula | C22H13F4N3O3S |
| Molecular Weight | 475.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-{[6-(2H-1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide (C22H13F4N3O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 475.42 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.
2-{[6-(2H-1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide (CAS 625378-07-6) is a high-purity analytical reference standard with the molecular formula C22H13F4N3O3S and a molecular weight of 475.42 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 2-{[6-(2H-1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide 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 | C22H13F4N3O3S |
| Molecular Weight | 475.42 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related H Standards
- (4S)-1-(1,3-Benzodioxol-5-ylmethyl)-4-[(3,3-dimethyl-1-oxobutyl)[(3-methoxyphenyl)methyl]amino]-L-proline (CAS 334999-53-0)
- 2-{[6-(2H-1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide (CAS 625378-05-4)
- 4-(2H-1,3-Benzodioxol-5-yl)-2-[(E)-2-(2-chlorophenyl)ethenyl]-5-oxo-5H-indeno[1,2-b]pyridine-3-carbonitrile (CAS 866136-02-9)
- 4-(2H-1,3-Benzodioxol-5-yl)-2-[(E)-2-(3-chlorophenyl)ethenyl]-5-oxo-5H-indeno[1,2-b]pyridine-3-carbonitrile (CAS 866142-82-7)
- 2-{[6-(2H-1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methyl-1,3-oxazol-2-yl)acetamide (CAS 625378-08-7)
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Recommended Standards
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- Semaglutide Impurity 137 (x TFA Salt) (CAS CATO-C4X-2226137)
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