6-(4-Chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-4-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile CAS 478042-89-6
| CAS No. | 478042-89-6 |
| Molecular Formula | C20H13Cl3N2OS |
| Molecular Weight | 435.75 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.
6-(4-Chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-4-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 478042-89-6) is a high-purity analytical reference standard with the molecular formula C20H13Cl3N2OS and a molecular weight of 435.75 g/mol.
Structurally, 6-(4-Chlorophenyl)-1-[(2,6-dichlorophenyl)methyl]-4-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile (C20H13Cl3N2OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 435.75 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C20H13Cl3N2OS |
| Molecular Weight | 435.75 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 6-(4-Chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-4-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 478042-95-4)
- (R)-1-(2-chlorophenyl)ethyl (5-(4-bromophenyl)-3-methylisoxazol-4-yl)carbamate (CAS 1228690-20-7)
- 3-[(2-Chlorophenyl)methanesulfonyl]-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide (CAS 338956-22-2)
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- (3S)-4-(2-chlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid (3S)-4-(2-chlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butyric acid (3S)-4-(2-chlorophenyl)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butanoic acid 270596-37-7 Fmoc-(S)-3-Amino-4-(2-chlorophenyl)-butyric acid (CAS 270596-37-7)
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- 1-((4-Chlorophenyl)sulfonyl)-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide (CAS 477872-85-8)
- 2-((4-(4-Chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(o-tolyl)acetamide (CAS 476484-03-4)
Recommended Standards
- 3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5-(trifluoromethyl)pyridine-2-carbonitrile (CAS 338791-68-7)
- 1-(2-Methoxyphenyl)-4-((2,4,5-trichlorophenyl)sulfonyl)piperazine (CAS 669726-08-3)
- 5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-(2-fluorophenyl)-2,3-dihydro-1H-isoindole-1,3-dione (CAS 866150-55-2)
- Ethyl N-(1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)carbamate (CAS 338770-26-6)
- 1-(1H-Imidazol-4-yl)-4-methylpent-1-en-3-one (CAS 261711-08-4)
- 2-(3-Methyl-4-(trifluoromethyl)phenyl)acetic acid (CAS 1214360-33-4)
- 1-(propan-2-yl)-1H-1,3-benzodiazole-5-carbaldehyde (CAS 1368933-18-9)
- 1-Cyclohexyl-3-(2-(thiophene-2-carbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)urea (CAS 1207023-67-3)
- 1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carbaldehyde (CAS 1642797-71-4)
- 7-Chloro-5-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 63882-72-4)
- 3-Methyl-1H-indole-2-carbonitrile (CAS 13006-59-2)
- (R)-2-Amino-4-phosphonobutanoic acid (CAS 78739-01-2)
- Methyl 4-oxo-4-(pyrrolidin-2-yl)butanoate hydrochloride (CAS 532410-51-8)
- 3AEEA-Semaglutide(Endo-AEEA-Semaglutide) (CAS CATO-C4X-2226265)
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