Methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-[4-(propan-2-yl)benzenesulfonyl]prop-2-enoate CAS 1327178-76-6
| CAS No. | 1327178-76-6 |
| Molecular Formula | C20H21NO6S |
| Molecular Weight | 403.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-[4-(propan-2-yl)benzenesulfonyl]prop-2-enoate is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies Methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-[4-(propan-2-yl)benzenesulfonyl]prop-2-enoate (CAS 1327178-76-6), a certified reference material (molecular formula C20H21NO6S, MW 403.45 g/mol) for analytical method development and quality control.
The molecular framework of Methyl (2Z)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-[4-(propan-2-yl)benzenesulfonyl]prop-2-enoate (C20H21NO6S) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
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 | C20H21NO6S |
| Molecular Weight | 403.45 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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 |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
- (3AR,7aS)-5-((benzyloxy)carbonyl)-2-(tert-butoxycarbonyl)octahydro-7aH-pyrrolo[3,4-c]pyridine-7a-carboxylate (CAS 1260594-17-9)
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- Semaglutide Impurity 165 (CAS CATO-C4X-2226165)
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