(2Z)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2-{[(3-methoxyphenyl)amino]methylidene}-3-oxobutanenitrile CAS 251310-64-2
| CAS No. | 251310-64-2 |
| Molecular Formula | C18H13ClF3N3O2S |
| Molecular Weight | 427.83 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(2Z)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2-{[(3-methoxyphenyl)amino]methylidene}-3-oxobutanenitrile (C18H13ClF3N3O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
(2Z)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-2-{[(3-methoxyphenyl)amino]methylidene}-3-oxobutanenitrile (CAS 251310-64-2) is a high-purity analytical reference standard with the molecular formula C18H13ClF3N3O2S and a molecular weight of 427.83 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 | C18H13ClF3N3O2S |
| Molecular Weight | 427.83 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/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Z Standards
- (2Z)-2-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-4-(methylsulfanyl)-3-oxobutanenitrile (CAS 1164480-54-9)
- 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-2-(4-methoxybenzyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-17-0)
- 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-methyl-1-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860789-11-3)
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