Methyl (2E,4E)-4-(benzenesulfonyl)-5-[(4-fluorophenyl)amino]penta-2,4-dienoate CAS 339276-74-3
| CAS No. | 339276-74-3 |
| Molecular Formula | C18H16FNO4S |
| Molecular Weight | 361.39 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 (2E,4E)-4-(benzenesulfonyl)-5-[(4-fluorophenyl)amino]penta-2,4-dienoate (CAS 339276-74-3), molecular formula C18H16FNO4S and molecular weight 361.39 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C18H16FNO4S, Methyl (2E,4E)-4-(benzenesulfonyl)-5-[(4-fluorophenyl)amino]penta-2,4-dienoate contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 361.39 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C18H16FNO4S |
| Molecular Weight | 361.39 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
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- 16298-90-1 8AR7G4VMN4 Jesaconitine Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-(4-methoxybenzoate), (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)- 4-21-00-02903 (Beilstein Handbook Reference) BRN 0075405 Diesaconitine UNII-8AR7G4VMN4 (CAS 16298-90-1)
- 2-(3,4-Dichlorophenyl)-2-(ethylamino)-acetonitrile hydrochloride (CAS 1440535-28-3)
- D-[Val]10-Semaglutide (CAS CATO-CPTD788630)
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