AR AR 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.
| ALogP | 4.9 |
|---|
| Canonical Smiles | CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4I |
|---|---|
| IUPAC Name | (2-iodophenyl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone |
| InChIKey | KSLCYQTUSSEGPT-UHFFFAOYSA-N |
| INCHI | 1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3 |
| Isomeric SMILES | CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4I |
| PubChem CID | 10226340 |
| Molecular Weight | 458.3 |
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 | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Benzoylindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoylindoles |
| Alternative Parents | Aryl-phenylketones Indolecarboxylic acids and derivatives N-alkylindoles Indoles Benzoyl derivatives Iodobenzenes Aryl iodides Substituted pyrroles Piperidines Vinylogous halides Heteroaromatic compounds Vinylogous amides Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organoiodides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoylindole - Aryl-phenylketone - Indolecarboxylic acid derivative - N-alkylindole - Indole - Benzoyl - Aryl ketone - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Piperidine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Pyrrole - Ketone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moiety through the acyl group. |
| 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 | 458.300 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 458.086 Da |
| Monoisotopic Mass | 458.086 Da |
| Topological Polar Surface Area | 25.200 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 499.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View AR grade guide →
