≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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 | C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O |
|---|---|
| IUPAC Name | 3-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid |
| InChIKey | FTUWSZLTOPTYLV-UHFFFAOYSA-N |
| INCHI | 1S/C25H17NO4/c27-23-21-19-15-8-1-2-9-16(15)20(18-11-4-3-10-17(18)19)22(21)24(28)26(23)14-7-5-6-13(12-14)25(29)30/h1-12,19-22H,(H,29,30) |
| Isómeros SMILES | C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O |
| CAS alternativo | 313653-93-9 |
| PubChem CID | 3274084 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lignans, neolignans and related compounds |
| Clase | Aryltetralin lignans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryltetralin lignans |
| Alternative Parents | Anthracenes Acylaminobenzoic acid and derivatives Phenylpyrrolidines Tetralins Isoindolones Benzoic acids Benzoyl derivatives Pyrrolidine-2-ones N-substituted carboxylic acid imides Dicarboximides Pyrroles Lactams Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-aryltetralin lignan - Anthracene - Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - Tetralin - Isoindolone - Benzoic acid or derivatives - Benzoic acid - Isoindoline - Isoindole or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Pyrrole - Lactam - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton. |
| External Descriptors | Not available |
| Peso molecular | 395.400 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 395.116 Da |
| Monoisotopic Mass | 395.116 Da |
| Topological Polar Surface Area | 74.700 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 694.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~1-5,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid - ≥95% CAS No(313653-93-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D1041422.jpg)