3-Amino-N-(3,4-difluorophenyl)-6-ethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide CAS 939888-79-6
| CAS No. | 939888-79-6 |
| Molecular Formula | C21H18F5N3OS |
| Molecular Weight | 455.44 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.
3-Amino-N-(3,4-difluorophenyl)-6-ethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CAS 939888-79-6), molecular formula C21H18F5N3OS and molecular weight 455.44 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C21H18F5N3OS, 3-Amino-N-(3,4-difluorophenyl)-6-ethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 455.44 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C21H18F5N3OS |
| Molecular Weight | 455.44 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide (CAS 626228-75-9)
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- (4-Nitrophenyl)(triphenylphosphoranylidene)methyl acetate (CAS 63760-39-4)
- (S)-2,2,2-trifluoro-N-(5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl)-acetamide (CAS 123643-51-6)
- 2-(2-bromoethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one (CAS 139331-19-4)
- Ethyl 3-(chloromethyl)-1H-pyrazole-4-carboxylate (CAS 137487-60-6)
- 4-{1-[2-(7-chloroquinolin-4-yl)hydrazin-1-ylidene]ethyl}-1,3-thiazol-2-amine (CAS 1119219-51-0)
- Dimethyl 5-(3-chlorophenyl)-1H,3H-pyrrolo[1,2-c]thiazole-6,7-dicarboxylate 2,2-dioxide (CAS 337920-86-2)
- 6-(4-Ethylpiperazin-1-yl)-2-methylnicotinonitrile (CAS 1355225-67-0)
- 6-Nitropyrazolo[1,5-a]pyrimidine-3-carbonitrile (CAS 80772-97-0)
- 7-Bromo-4,4-dimethyl-1H-benzo[d][1,3]oxazin-2(4H)-one (CAS 1245643-21-3)
- (R)-1-(4-Methoxypyridin-2-yl)ethanamine hydrochloride (CAS 1956435-53-2)
- N-(2-benzoylphenyl)-2-bromo-2-methylpropanamide (CAS 849642-02-0)
- Des-Trp25-Tirzepatide (CAS CATO-CPTD788948)
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