3-(2-Chlorophenyl)-N-((3,4-dimethoxyphenethyl)carbamothioyl)-5-methylisoxazole-4-carboxamide CAS 883031-66-1
| CAS No. | 883031-66-1 |
| Molecular Formula | C22H22ClN3O4S |
| Molecular Weight | 459.95 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 459.95 g/mol gives 3-(2-Chlorophenyl)-N-((3,4-dimethoxyphenethyl)carbamothioyl)-5-methylisoxazole-4-carboxamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(2-Chlorophenyl)-N-((3,4-dimethoxyphenethyl)carbamothioyl)-5-methylisoxazole-4-carboxamide (CAS 883031-66-1), molecular formula C22H22ClN3O4S and molecular weight 459.95 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-(2-Chlorophenyl)-N-((3,4-dimethoxyphenethyl)carbamothioyl)-5-methylisoxazole-4-carboxamide (C22H22ClN3O4S) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C22H22ClN3O4S |
| Molecular Weight | 459.95 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 3-(2-Chlorophenyl)-5-methyl-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)isoxazole-4-carboxamide (CAS 349613-51-0)
- 3-(4-Chlorophenyl)-4-(p-tolyl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole (CAS 477330-96-4)
- 3-((3-Chlorophenyl)sulfonyl)-6,7-difluoro-1-(4-methylbenzyl)quinolin-4(1H)-one (CAS 1326901-66-9)
- 3-(4-Chlorophenyl)-4-oxo-N-(4-(trifluoromethoxy)phenyl)-3,4-dihydrophthalazine-1-carboxamide (CAS 320417-62-7)
- 4-(4-(2-Chlorophenyl)thiazol-2-yl)-N-(2,4-dichlorophenyl)benzamide (CAS 338396-98-8)
- N-(2-chlorophenyl)-4-(4-(3,4-dichlorophenyl)thiazol-2-yl)benzamide (CAS 338408-22-3)
- N-(3-chlorophenyl)-4-(4-(3,4-dichlorophenyl)thiazol-2-yl)benzamide (CAS 338408-24-5)
- N-(4-Chlorophenyl)-4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide (CAS 338408-26-7)
Recommended Standards
- Carbamazepine Impurity 28 (CAS 866873-98-5)
- 1-((1-Cyanocyclohexyl)amino)-1-oxopropan-2-yl 4-chloro-2-(thiophene-2-carboxamido)benzoate (CAS 875324-26-8)
- (S)-N-(1-(1H-Benzo[d]imidazol-2-yl)-4-(2-chloroacetimidamido)butyl)-[1,1'-biphenyl]-4-carboxamide (CAS 1802637-39-3)
- N-(2-(5-Chloropyridin-2-yl)ethyl)-4-(((4-methoxyphenyl)sulfonamido)methyl)benzamide (CAS 1943733-16-1)
- (2-Amino-4-(trifluoromethyl)thiazol-5-yl)(phenyl)methanone (CAS 123556-64-9)
- 2-Amino-N-(2-methoxyethyl)-3-phenylpropanamide (CAS 1161070-07-0)
- 4-(Benzo[d][1,3]dioxol-5-ylmethyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carboxamide (CAS 305859-49-8)
- Methyl 2-(3-(3-(5-((4-methoxybenzyl)oxy)pyridin-2-yl)-1,2,4-oxadiazol-5-yl)-2,2-dimethylpropanamido)cyclohex-1-enecarboxylate (CAS 917911-03-6)
- 4-Amino-2-(trifluoromethyl)-benzenesulfonamide (CAS 363-93-9)
- 4-((3-Chloropropoxy)methyl)-1H-imidazole (CAS 776238-71-2)
- 2-(4-Bromo-1-methyl-1H-pyrazol-3-yl)acetonitrile (CAS 1310379-44-2)
- 3-(Trichloromethoxy)benzonitrile (CAS 1404195-02-3)
- 3-Bromo-5-methyl-4-nitrobenzaldehyde (CAS 1805553-40-5)
- Insulin Degludec Impurity 16 (CAS CATO-C4X-215716)
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