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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O |
|---|---|
| IUPAC Name | 2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione |
| InChIKey | YGLMEFKEFFUNHX-UHFFFAOYSA-N |
| INCHI | 1S/C25H24N2O5S/c1-32-19-8-10-20(11-9-19)33(30,31)26-14-12-17(13-15-26)16-27-24(28)21-6-2-4-18-5-3-7-22(23(18)21)25(27)29/h2-11,17H,12-16H2,1H3 |
| Peso molecular | 464.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Isoquinolines and derivatives |
| Subclass | Isoquinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolones and derivatives |
| Alternative Parents | Benzenesulfonamides Naphthalenes Benzenesulfonyl compounds Methoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Organosulfonamides Piperidines N-substituted carboxylic acid imides Sulfonyls Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinolone - Naphthalene - Benzenesulfonamide - Benzenesulfonyl group - Phenol ether - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - Carboxylic acid imide, n-substituted - Benzenoid - Organosulfonic acid amide - Piperidine - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid imide - Carboxylic acid derivative - Ether - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety. |
| External Descriptors | Not available |
| Peso molecular | 464.500 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 464.141 Da |
| Monoisotopic Mass | 464.141 Da |
| Topological Polar Surface Area | 92.400 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 809.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[1-(4-Methoxy-benzenesulfonyl)-piperidin-4-ylmethyl]-benzo[de]isoquinoline-1,3-dione , CAS No.326007-38-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)