Methyl 6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-[(E)-[(dimethylamino)methylidene]amino]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate CAS 321430-39-1
| CAS No. | 321430-39-1 |
| Molecular Formula | C18H18ClF3N4O2S |
| Molecular Weight | 446.87 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.
Methyl 6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-[(E)-[(dimethylamino)methylidene]amino]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate (CAS 321430-39-1) is a high-purity analytical reference standard with the molecular formula C18H18ClF3N4O2S and a molecular weight of 446.87 g/mol.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, Methyl 6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-[(E)-[(dimethylamino)methylidene]amino]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 446.87 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C18H18ClF3N4O2S |
| Molecular Weight | 446.87 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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