≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)N4C(=O)C=CC4=O)C |
|---|---|
| IUPAC Name | 1-[4-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione |
| InChIKey | YGIABALXNBVHBX-UHFFFAOYSA-N |
| INCHI | 1S/C24H22N2O4/c1-4-25(5-2)18-10-11-19-15(3)23(24(29)30-20(19)14-18)16-6-8-17(9-7-16)26-21(27)12-13-22(26)28/h6-14H,4-5H2,1-3H3 |
| Isomeric SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)N4C(=O)C=CC4=O)C |
| PubChem CID | 122042 |
| Molecular Weight | 402.442 |
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 | Phenylpropanoids and polyketides |
| Class | Isoflavonoids |
| Subclass | Isoflav-3-enes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoflav-3-enones |
| Alternative Parents | Phenylpyrrolines Coumarins and derivatives 1-benzopyrans Dialkylarylamines Pyranones and derivatives Maleimides N-substituted carboxylic acid imides Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Dicarboximides Amino acids and derivatives Lactones Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoflav-3-enone skeleton - Coumarin - 1-phenylpyrroline - Benzopyran - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Maleimide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyran - Benzenoid - Heteroaromatic compound - Pyrroline - Pyrrole - Carboxylic acid imide - Dicarboximide - Tertiary amine - Amino acid or derivatives - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Amine - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 402.400 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 402.158 Da |
| Monoisotopic Mass | 402.158 Da |
| Topological Polar Surface Area | 66.900 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 756.000 |
| 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 |
