5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-N-{[(4-nitrophenyl)carbamothioyl]amino}-4,5-dihydro-1,2-oxazole-3-carboxamide CAS 338399-31-8
| CAS No. | 338399-31-8 |
| Molecular Formula | C18H15ClF3N7O4S |
| Molecular Weight | 517.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C18H15ClF3N7O4S, 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-N-{[(4-nitrophenyl)carbamothioyl]amino}-4,5-dihydro-1,2-oxazole-3-carboxamide contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 517.87 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-N-{[(4-nitrophenyl)carbamothioyl]amino}-4,5-dihydro-1,2-oxazole-3-carboxamide (CAS 338399-31-8), a certified reference material (molecular formula C18H15ClF3N7O4S, MW 517.87 g/mol) for analytical method development and quality control.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-N-{[(4-nitrophenyl)carbamothioyl]amino}-4,5-dihydro-1,2-oxazole-3-carboxamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C18H15ClF3N7O4S |
| Molecular Weight | 517.87 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.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 7 |
| Sulfur Atoms | 1 |
Related chloro Standards
- (E)-4-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-2-(2-(4-methoxybenzylidene)hydrazinyl)pyrido[2,3-b]pyrazin-3(4H)-one (CAS 338412-03-6)
- 2-Chloro-4-methanesulfonyl-N-{4-[3-(trifluoromethyl)benzenesulfonyl]phenyl}benzamide (CAS 339105-03-2)
- 2-((5-Chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzenesulfonamide (CAS 761438-38-4)
- 2-[3-(S)-[3-(2-(7-Chloro-2-quinolinyl)ethenyl)phenyl]-3-hydroxypropyl]phenyl-2-(1’-hydroxy-2’-methoxymethyl)propanol (Mixture of Diastereomers) (CAS 184764-20-3)
- 6-(2-Chloro-4-(6-methylpyrazin-2-yl)phenyl)-8-ethyl-2-((2-(1-methylpiperidin-4-yl)ethyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one (CAS 1432908-05-8)
- 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-3-[(1Z)-{2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazin-1-ylidene}methyl]-1H-indole (CAS 338409-94-2)
- 4-Chloro-N-[(N'-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carbonyl}hydrazinecarbonyl)methyl]benzamide (CAS 338397-24-3)
- Ethyl 6-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-4-(4-chlorophenyl)-5-formyl-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 478261-86-8)
Recommended Standards
- 3-(4-Allyl-5-((3,4-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-1-(4-chlorobenzyl)pyridin-2(1H)-one (CAS 400075-04-9)
- (R)-2-(4-(2-Amino-6-(1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)acetic acid (CAS 1956435-42-9)
- 1,3-Dimyristin-d5 (CAS 1246523-63-6)
- (4-Hydroxymidazolam)-β-D-glucuronide (CAS 81256-82-8)
- tert-Butyl 4-(5-iodopyridazin-1(2H)-yl)piperidine-1-carboxylate (CAS 1245646-75-6)
- 4-(3-Chlorophenyl)-3-methyl-1-(3-nitrophenyl)-1H-pyrazol-5-amine (CAS 400074-89-7)
- (2-(2-Methylquinolin-4-yl)cyclopropyl)methanamine (CAS 1541693-00-8)
- Kulactone (CAS 22611-36-5)
- 3-Chloro-2-(trifluoromethyl)pyridine-4-thiol (CAS 1805038-94-1)
- CI 898 D-Glucuronic Acid Salt (Trimetrexate D-Glucuronic Acid Salt) (CAS 82952-64-5)
- 1-(6-Chloropyrazin-2-yl)indoline (CAS 1220020-34-7)
- 6-Hydroxy-2-(2-methylpropylidene)benzofuran-3(2H)-one (CAS 88281-19-0)
- 3-(1'-Ethyl-5-(trifluoromethyl)-1'h,2h-[3,4'-bipyrazol]-2-yl)propanenitrile (CAS 1170291-33-4)
- Semaglutide Sodium Salt (CAS CATO-C4X-222620)
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