≥90% 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 | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=O)C(C2)C3=CNC4=CC=CC=C43 |
|---|---|
| IUPAC Name | 3-(4-tert-butylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one |
| InChIKey | VJFZZNIMQBQZRE-UHFFFAOYSA-N |
| INCHI | 1S/C22H23N3O/c1-22(2,3)15-10-8-14(9-11-15)20-12-17(21(26)25-24-20)18-13-23-19-7-5-4-6-16(18)19/h4-11,13,17,23H,12H2,1-3H3,(H,25,26) |
| Isomeric SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=O)C(C2)C3=CNC4=CC=CC=C43 |
| Alternate CAS | 946387-32-2 |
| PubChem CID | 4345408 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 3-alkylindoles |
| Alternative Parents | Phenylpropanes Pyridazinones Substituted pyrroles Heteroaromatic compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-alkylindole - Phenylpropane - Pyridazinone - Monocyclic benzene moiety - Pyridazine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position. |
| External Descriptors | Not available |
| Molecular Weight | 345.400 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 345.184 Da |
| Monoisotopic Mass | 345.184 Da |
| Topological Polar Surface Area | 57.300 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 556.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![6-[4-(tert-butyl)phenyl]-4-(1H-indol-3-yl)-4,5-dihydro-3(2H)-pyridazinone - ≥90% , CAS No.946387-32-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)