1-Benzyl-6-(4-chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile CAS 478042-93-2
| CAS No. | 478042-93-2 |
| Molecular Formula | C20H15ClN2OS |
| Molecular Weight | 366.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 366.86 g/mol gives 1-Benzyl-6-(4-chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-Benzyl-6-(4-chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile (CAS 478042-93-2), molecular formula C20H15ClN2OS and molecular weight 366.86 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, 1-Benzyl-6-(4-chlorophenyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 366.86 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C20H15ClN2OS |
| Molecular Weight | 366.86 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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 Benzyl Standards
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- 1-[(4-Chlorophenyl)methyl]-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile (CAS 478042-79-4)
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Recommended Standards
- 2-(4-Chloro-phenoxy)-5-(piperidine-1-sulfonyl)-phenylamine (CAS 734546-73-7)
- 1-(2-Chlorobenzyl)-4-(methylthio)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile (CAS 478043-00-4)
- 3-(1-((5-Chlorothiophen-2-yl)sulfonyl)pyrrolidin-3-yl)thiazolidine-2,4-dione (CAS 1795481-56-9)
- 5-(4-Methylpiperidine-1-carboxamido)naphthalene-1-sulfonyl chloride (CAS 728864-80-0)
- (R)-2-Amino-2-(4-nitrophenyl)acetic acid (CAS 336877-75-9)
- Ethyl 2-(4-((3-chloro-5-(trifluoromethyl)-pyridin-2-yl)oxy)phenoxy)propanoate (CAS 69806-42-4)
- H-Arg-Gly-Asp-Ser-OH (CAS 91037-65-9)
- 3-Phenyl-2-azaspiro[3.3]Heptan-1-one (CAS 1803609-48-4)
- 5-Chloro-2-((3-phenylpropyl)amino)benzoic acid (CAS 1406474-20-1)
- Ethyl (4-fluorobenzyl)alaninate (CAS 1494560-16-5)
- (8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine hydrochloride (CAS 1193387-33-5)
- Stearoyl Polyoxylglycerides (100 mg) (CAS 9011-21-6)
- 2,2-Dimethyloxane-4-carbonitrile (CAS 60549-63-5)
- Semaglutide impurity 257 (CAS CATO-C4X-2226257)
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