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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.
| Canonical Smiles | CCC1=CC2=C(C(=C1O)CN3CCOCC3)OC=C(C2=O)C4=NC5=CC=CC=C5N4C |
|---|---|
| IUPAC Name | 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-8-(morpholin-4-ylmethyl)chromen-4-one |
| InChIKey | GRHNVKMSVYIVFQ-UHFFFAOYSA-N |
| INCHI | 1S/C24H25N3O4/c1-3-15-12-16-22(29)18(24-25-19-6-4-5-7-20(19)26(24)2)14-31-23(16)17(21(15)28)13-27-8-10-30-11-9-27/h4-7,12,14,28H,3,8-11,13H2,1-2H3 |
| Molecular Weight | 419.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chromones |
| Alternative Parents | Benzimidazoles Pyranones and derivatives Aralkylamines N-substituted imidazoles Morpholines Benzenoids Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromone - Benzimidazole - Aralkylamine - Pyranone - Morpholine - N-substituted imidazole - Oxazinane - Benzenoid - Pyran - Azole - Imidazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety. |
| External Descriptors | Not available |
| Molecular Weight | 419.500 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 419.185 Da |
| Monoisotopic Mass | 419.185 Da |
| Topological Polar Surface Area | 76.800 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 694.000 |
| 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 |
