N-[(2-Chlorophenyl)methyl]-2-{[3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide CAS 626228-72-6
| CAS No. | 626228-72-6 |
| Molecular Formula | C21H19ClF3N3OS |
| Molecular Weight | 453.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-[(2-Chlorophenyl)methyl]-2-{[3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide (CAS 626228-72-6), molecular formula C21H19ClF3N3OS and molecular weight 453.91 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of N-[(2-Chlorophenyl)methyl]-2-{[3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide (C21H19ClF3N3OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), N-[(2-Chlorophenyl)methyl]-2-{[3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide 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 | C21H19ClF3N3OS |
| Molecular Weight | 453.91 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.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related N Standards
- (E)-{[4-(4-chlorophenyl)-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5-trien-3-yl]methylidene}amino 4-fluorobenzoate (CAS 478041-89-3)
- (E)-({5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl}methylidene)amino 4-methylbenzoate (CAS 321553-44-0)
- (E)-[(5-{[(2-chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methylidene]amino benzoate (CAS 321553-55-3)
- (E)-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methylidene]amino benzoate (CAS 321553-48-4)
- (Z)-2-((4-chlorophenyl)thio)-1-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)ethan-1-one O-(4-fluorobenzyl) oxime (CAS 478047-79-9)
- N-(4-(4-((4-chlorophenyl)sulfonyl)piperazin-1-yl)-3-fluorophenyl)-3-methylbutanamide (CAS 866131-35-3)
- 1-(3-Chlorophenyl)-4-({4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}methyl)piperazine (CAS 477869-33-3)
- 1-Benzyl-4-({4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}methyl)piperazine (CAS 477869-39-9)
Recommended Standards
- N-(4-chlorobenzyl)-2-((3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)acetamide (CAS 626227-36-9)
- Flumetasone Impurity 14 (CAS 3873-19-6)
- 5-((4-Chlorobenzyl)thio)-N-(3,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321553-31-5)
- Halobetasol Impurity 9 (CAS CATO-C4X-33149)
- cis-2-fluorocyclopropanecarboxamide (CAS 1258298-41-7)
- 5-Hydroxy-2-methylpyrimidin-4(1H)-one (CAS 24614-14-0)
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- Regorafenib Impurity 42 (CAS CATO-C4X-104742)
- 3-[(2-chloro-4-pyrimidinyl)oxy]Benzoic acid (CAS 1086379-66-9)
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- 898753-80-5 Ethyl 8-cyclohexyl-8-oxooctanoate DTXSID70645649 (CAS 898753-80-5)
- 5-(Pyridin-3-yl)-1,2,4-oxadiazole (CAS 128164-72-7)
- Neuropeptide W-23 (human) (CAS 383415-79-0)
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