(E)-[1-(1,3-Thiazol-2-yl)ethylidene]amino 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate CAS 866149-45-3
| CAS No. | 866149-45-3 |
| Molecular Formula | C16H12ClN3O3S |
| Molecular Weight | 361.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(E)-[1-(1,3-Thiazol-2-yl)ethylidene]amino 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CAS 866149-45-3), molecular formula C16H12ClN3O3S and molecular weight 361.80 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (E)-[1-(1,3-Thiazol-2-yl)ethylidene]amino 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (C16H12ClN3O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 361.80 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C16H12ClN3O3S |
| Molecular Weight | 361.80 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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- N-(Thiazol-2-yl)-1-tosylpyrrolidine-2-carboxamide (CAS 1095530-73-6)
- 5-(2-Phenyl-1,3-thiazol-4-yl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazole (CAS 400079-69-8)
- 2-(2-Phenyl-1,3-thiazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CAS 400083-60-5)
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Recommended Standards
- 1,3-Dibromo-5-iodobenzene (CAS 19752-57-9)
- 1,2-Dibromo-4-iodobenzene (CAS 909072-74-8)
- 7-Chloro-4-ethynyl-1,4-dihydro-1-[(4-methylphenyl)sulfonyl]-2H-3,1-benzoxazin-2-one (CAS 1958012-17-3)
- 1,4-Dibromo-2-iodobenzene (CAS 89284-52-6)
- 1-(2,4-Difluorophenyl)-3,5-dimethyl-1h-pyrazole-4-carbaldehyde (CAS 1134818-07-7)
- 2,2-Dimethyl-4-(1h-pyrazol-1-yl)butanenitrile (CAS 1488723-41-6)
- 1H-Pyrazolo[4,3-d]pyrimidine-5,7-diamine (CAS 501920-08-7)
- 2-Fluoro-N-((5-methylfuran-2-yl)methyl)aniline (CAS 908146-96-3)
- 1-(3,4,5-Trifluorophenyl)propan-2-one (CAS 1305324-03-1)
- 3-Iodo-1-methyl-1H-indole (CAS 85092-84-8)
- 3-((2-Chloropyrimidin-4-yl)oxy)aniline (CAS 943314-62-3)
- 1-(2,4-Difluorophenyl)-3-methyl-1H-1,2,4-triazol-5(4H)-one (CAS 90208-65-4)
- 4-(4-Methoxybenzyl)tetrahydro-2h-thiopyran-4-carboxylic acid 1,1-dioxide (CAS 1983938-22-2)
- Pancreatic Polypeptide (bovine) (CAS 179986-89-1)
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