2-(3-(4-Chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl 2-(methylthio)nicotinate CAS 473671-25-9
| CAS No. | 473671-25-9 |
| Molecular Formula | C22H18ClN3O4S |
| Molecular Weight | 455.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C22H18ClN3O4S, 2-(3-(4-Chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl 2-(methylthio)nicotinate contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 455.91 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
2-(3-(4-Chlorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl 2-(methylthio)nicotinate (CAS 473671-25-9) is a high-purity analytical reference standard with the molecular formula C22H18ClN3O4S and a molecular weight of 455.91 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.
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.
Physical & Chemical Properties
| Molecular Formula | C22H18ClN3O4S |
| Molecular Weight | 455.91 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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