6-(Tert-butyl)-2-((2-oxopropyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS 496804-95-6
| CAS No. | 496804-95-6 |
| Molecular Formula | C21H24N2OS2 |
| Molecular Weight | 384.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 6-(Tert-butyl)-2-((2-oxopropyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
6-(Tert-butyl)-2-((2-oxopropyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 496804-95-6), molecular formula C21H24N2OS2 and molecular weight 384.56 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6-(Tert-butyl)-2-((2-oxopropyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (C21H24N2OS2) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 384.56 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
CATO manufactures 6-(Tert-butyl)-2-((2-oxopropyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C21H24N2OS2 |
| Molecular Weight | 384.56 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Recommended Standards
- 3-Benzyl-7-tert-butyl-2-mercapto-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one (CAS 299921-58-7)
- Ethyl dodecanoyl-L-argininate (CAS 48076-74-0)
- 2,5-Dimethyl-N1,N4-diphenylpiperazine-1,4-bis(carbothioamide) (CAS 74010-61-0)
- (1Z,3Z)-4-(dimethylamino)-1-[(dimethylamino)methylidene]-1,3-bis(phenylsulfanyl)but-3-en-2-one 338777-86-9 6B-067 (CAS 338777-86-9)
- 3-Chlorobenzoyl Chloride (CAS 618-46-2)
- Methyl 3-(3-(tert-butyl)-4-hydroxyphenyl)propanoate (CAS 36837-50-0)
- tert-Butyl 4-(5-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1-tosyl-1h-pyrazol-3-yl)piperidine-1-carboxylate (CAS 503443-67-2)
- Acetylsulfamethoxazole-d4 (CAS 1215530-54-3)
- 4-Chloro-2-isopropylbenzofuro[3,2-d]pyrimidine (CAS 1706446-62-9)
- Ethyl 4-hydroxyphthalazine-1-carboxylate (CAS 23952-05-8)
- 5-Hydroxy-N,N-dimethyl-2-(trifluoromethyl)benzamide (CAS 1243344-30-0)
- 2-(1-((5-Methylfuran-2-yl)methyl)-3-oxopiperazin-2-yl)acetic acid (CAS 1022919-08-9)
- 3-Bromo-2-cyano-4-(trifluoromethyl)benzoic acid (CAS 1805186-52-0)
- Peptide Impurity 64 (CAS CATO-CPTD788964)
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