Ethyl 4-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)-3-oxobutanoate
ethyl 4-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]sulfanyl]-3-oxobutanoate
Also Known As: ethyl 4-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanyl-3-oxobutanoate|ethyl 4-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)-3-oxobutanoate
CAS: 328071-47-2
| Molecular Formula | C22H26N2O3S |
|---|---|
| Molecular Weight | 398.1664 g/mol |
| LogP | 4.03548 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.1664 |
| Monoisotopic Mass | 398.1664 |
| Heavy Atoms | 28 |
| Complexity | 794.27686 |
Chemical Identifiers
| CAS Number | 328071-47-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C=CC(=N1)C23CC4CC(C2)CC(C4)C3)C#N |
Product Overview
Ethyl 4-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)-3-oxobutanoate (CAS 328071-47-2), with molecular formula C22H26N2O3S and molecular weight 398.1664 g/mol. IUPAC: ethyl 4-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]sulfanyl]-3-oxobutanoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Ethyl 4-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)-3-oxobutanoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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