(1S,2S)-2-(1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)cyclohexane-1-carboxylic acid CAS 642995-16-2
| CAS No. | 642995-16-2 |
| Molecular Formula | C19H17NO4 |
| Molecular Weight | 323.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (1S,2S)-2-(1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)cyclohexane-1-carboxylic acid is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies (1S,2S)-2-(1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)cyclohexane-1-carboxylic acid (CAS 642995-16-2), a certified reference material (molecular formula C19H17NO4, MW 323.34 g/mol) for analytical method development and quality control.
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, (1S,2S)-2-(1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)cyclohexane-1-carboxylic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 323.34 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
As a certified reference material (CRM), (1S,2S)-2-(1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)cyclohexane-1-carboxylic acid 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 | C19H17NO4 |
| Molecular Weight | 323.34 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 1 |
Recommended Standards
- (1R,2R)-2-(1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl)cyclohexane-1-carboxylic acid (CAS 642995-15-1)
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