Isopropyl 4-((5-cyano-[2,3'-bipyridin]-6-yl)thio)-3-oxobutanoate CAS 445391-47-9
| CAS No. | 445391-47-9 |
| Molecular Formula | C18H17N3O3S |
| Molecular Weight | 355.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Isopropyl 4-((5-cyano-[2,3'-bipyridin]-6-yl)thio)-3-oxobutanoate (C18H17N3O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 355.41 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Isopropyl 4-((5-cyano-[2,3'-bipyridin]-6-yl)thio)-3-oxobutanoate (CAS 445391-47-9), molecular formula C18H17N3O3S and molecular weight 355.41 g/mol, is a CATO reference standard with documented purity and traceability.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), Isopropyl 4-((5-cyano-[2,3'-bipyridin]-6-yl)thio)-3-oxobutanoate 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 | C18H17N3O3S |
| Molecular Weight | 355.41 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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 |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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