6-tert-Butyl-2-{[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS 939888-64-9
| CAS No. | 939888-64-9 |
| Molecular Formula | C28H29FN2OS2 |
| Molecular Weight | 492.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution, 6-tert-Butyl-2-{[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 492.67 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
6-tert-Butyl-2-{[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 939888-64-9), molecular formula C28H29FN2OS2 and molecular weight 492.67 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C28H29FN2OS2 |
| Molecular Weight | 492.67 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Recommended Standards
- 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(1E)-{[(2,6-dichlorophenyl)methoxy]imino}methyl]-1H-pyrazole-4-carboxamide (CAS 477709-87-8)
- N-{3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl}-N'-[4-(trifluoromethoxy)phenyl]urea (CAS 244278-43-1)
- (E)-{[1-(4-methoxyphenyl)-4-[(4-methylphenyl)sulfanyl]-2-phenyl-6,7-dihydro-1H-indol-5-yl]methylidene}(propan-2-yl)amine (CAS 477869-24-2)
- Ixabepilone Impurity 3 (CAS 219989-85-2)
- 4-Bromo-2-Fluorobenzylisocyanide (CAS 728920-03-4)
- 6-(3-(Dimethylamino)acryloyl)-4-ethyl-7-hydroxy-8-methyl-2h-chromen-2-one (CAS 1821457-35-5)
- Fmoc-L-isovaline (CAS 857478-30-9)
- (S)-1-(tert-Butoxycarbonyl)-4-(2-formyl-3-nitrophenyl)piperazine-2-carboxylic acid 1786710-86-8 (CAS 1786710-86-8)
- N-Benzyl-N-(isoxazol-4-yl)formamide (CAS 108512-15-8)
- 1-(Prop-2-yn-1-yl)piperazin-2-one (CAS 1340102-42-2)
- 3-Methyl-1-phenyl-5-(2,4,5-trichlorophenyl)-1H-pyrazole (CAS 1261667-98-4)
- 5-((2-Ethoxyethyl)amino)-1,3-dimethyl-1h-pyrazole-4-carboxylic acid (CAS 1344230-70-1)
- n-((1h-Imidazol-2-yl)methyl)-3-methoxyaniline (CAS 1020669-79-7)
- Semaglutide impurity 66 (CAS CATO-C4X-222666)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com