(2Z)-3-(2-{[(4-chlorophenyl)methyl]sulfanyl}quinolin-3-yl)-2-(3,4-dichlorophenyl)prop-2-enenitrile CAS 478065-30-4
| CAS No. | 478065-30-4 |
| Molecular Formula | C25H15Cl3N2S |
| Molecular Weight | 481.82 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.
(2Z)-3-(2-{[(4-chlorophenyl)methyl]sulfanyl}quinolin-3-yl)-2-(3,4-dichlorophenyl)prop-2-enenitrile (CAS 478065-30-4), molecular formula C25H15Cl3N2S and molecular weight 481.82 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (2Z)-3-(2-{[(4-chlorophenyl)methyl]sulfanyl}quinolin-3-yl)-2-(3,4-dichlorophenyl)prop-2-enenitrile (C25H15Cl3N2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 18.0, corresponding to approximately 18 ring(s) or double-bond equivalent(s). With a molecular weight of 481.82 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C25H15Cl3N2S |
| Molecular Weight | 481.82 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 2-((4-Chlorobenzyl)thio)-4,6-bis(4-chlorophenyl)nicotinonitrile (CAS 332385-86-1)
- Nitrite Nitrogen in Water (CAS CATO-LINS001326)
- 3-Amino-N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide (CAS 626221-70-3)
- 2-Fluoro-4-(hydroxymethyl)-3-methoxybenzonitrile (CAS 2091404-10-1)
- (S)-3-((tert-Butoxycarbonyl)amino)-5-phenylpentanoic acid (CAS 218608-84-5)
- cis-Bis(2,2?-bipyridine)dichloroosmium(II) (CAS 79982-56-2)
- 6,7-Dihydroxy-3-((methylamino)methyl)isobenzofuran-1(3H)-one (CAS 90922-87-5)
- 2-(1-(4-Methoxyphenyl)ethylidene)hydrazine-1-carboxamide (CAS 717-14-6)
- 5-Methyl-6-propoxypyridin-3-amine (CAS 1250966-42-7)
- (3-Cyano-4-ethylphenyl)boronic acid (CAS 911210-50-9)
- D-[Phe]6-Semaglutide (CAS CATO-CPTD788633)
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