Ethyl (2-((3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetyl)glycinate CAS 1058238-85-9
| CAS No. | 1058238-85-9 |
| Molecular Formula | C12H16N6O3S |
| Molecular Weight | 324.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Ethyl (2-((3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetyl)glycinate (CAS 1058238-85-9), molecular formula C12H16N6O3S and molecular weight 324.36 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl (2-((3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)acetyl)glycinate (C12H16N6O3S) contains a nitrogen-containing heterocyclic scaffold, 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 324.36 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.
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 | C12H16N6O3S |
| Molecular Weight | 324.36 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.) | 1988 |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 1 |
Recommended Standards
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- 3-Methyl-1-(2-methylbenzoyl)-1H-pyrazol-5(4H)-one (CAS 101771-59-9)
- Peptide Impurity (CAS CATO-CPTD788810)
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