Methyl 2-{[(benzyloxy)carbonyl]amino}-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoate CAS 691880-97-4
| CAS No. | 691880-97-4 |
| Molecular Formula | C15H18N2O4S2 |
| Molecular Weight | 354.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 2-{[(benzyloxy)carbonyl]amino}-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoate (CAS 691880-97-4), molecular formula C15H18N2O4S2 and molecular weight 354.44 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 2-{[(benzyloxy)carbonyl]amino}-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoate (C15H18N2O4S2) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 354.44 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C15H18N2O4S2 |
| Molecular Weight | 354.44 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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