| CAS No. | 1370442-99-1 |
| Molecular Formula | C22H30N4O7S |
| Molecular Weight | 494.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 494.56 g/mol gives (S)-2,2',2''-(5-(4-Isothiocyanatobenzyl)-1-oxa-4,7,10-triazacyclododecane-4,7,10-triyl)triacetic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(S)-2,2',2''-(5-(4-Isothiocyanatobenzyl)-1-oxa-4,7,10-triazacyclododecane-4,7,10-triyl)triacetic acid (CAS 1370442-99-1), molecular formula C22H30N4O7S and molecular weight 494.56 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, (S)-2,2',2''-(5-(4-Isothiocyanatobenzyl)-1-oxa-4,7,10-triazacyclododecane-4,7,10-triyl)triacetic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 494.56 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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), (S)-2,2',2''-(5-(4-Isothiocyanatobenzyl)-1-oxa-4,7,10-triazacyclododecane-4,7,10-triyl)triacetic 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.
| Molecular Formula | C22H30N4O7S |
| Molecular Weight | 494.56 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 |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |