2-({1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)carbamoyl]ethyl}sulfanyl)acetic acid CAS 757192-84-0
| CAS No. | 757192-84-0 |
| Molecular Formula | C16H19N3O4S |
| Molecular Weight | 349.40 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-({1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)carbamoyl]ethyl}sulfanyl)acetic acid (CAS 757192-84-0), molecular formula C16H19N3O4S and molecular weight 349.40 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-({1-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)carbamoyl]ethyl}sulfanyl)acetic acid (C16H19N3O4S) 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 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 349.40 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 | C16H19N3O4S |
| Molecular Weight | 349.40 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related dimethyl Standards
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Recommended Standards
- 2-((5-(Phenoxymethyl)-1,3,4-oxadiazol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide (CAS 948263-58-9)
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- 1-(4-Chlorobenzyl)-1H-indole-2-carboxylic acid (CAS 220677-67-8)
- (S)-N,N-Dimethyl-5-oxotetrahydrofuran-2-carboxamide (CAS 146917-05-7)
- 7-methyl-2-azaspiro[4.4]nonane hydrochloride (CAS 1461706-11-5)
- Ceftazidime Impurity 104 (CAS CATO-C4X-1212104)
- 1-(2,5-Dimethylbenzyl)-1H-pyrrole-2-carboxylic acid (CAS 1539256-30-8)
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- ((2R,3R,4S,5R,6S)-6-(allyloxy)-3,4,5-tris(benzyloxy)tetrahydro-2H-pyran-2-yl)methanol (CAS 78184-40-4)
- Cefoperazone Impurity 61 (CAS CATO-C4X-114961)
- 5-Chloro-2-(pyridin-4-yl)indoline (CAS 593234-55-0)
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