≥90% 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.
| Canonical Smiles | COC(=O)C(=O)C1=CN(C2=CC=CC=C21)C3CCN(CC3)CC4=CC=CC=N4 |
|---|---|
| IUPAC Name | methyl 2-oxo-2-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]acetate |
| InChIKey | VSLDBHPORNGBPB-UHFFFAOYSA-N |
| INCHI | 1S/C22H23N3O3/c1-28-22(27)21(26)19-15-25(20-8-3-2-7-18(19)20)17-9-12-24(13-10-17)14-16-6-4-5-11-23-16/h2-8,11,15,17H,9-10,12-14H2,1H3 |
| Isomeric SMILES | COC(=O)C(=O)C1=CN(C2=CC=CC=C21)C3CCN(CC3)CC4=CC=CC=N4 |
| PubChem CID | 29945283 |
| Molecular Weight | 377.44 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolyl carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indole-3-acetic acid derivatives |
| Alternative Parents | N-alkylindoles Indoles 2-pyridylmethylamines Aryl ketones Aralkylamines Benzenoids Alpha-keto acids and derivatives Piperidines Substituted pyrroles Methyl esters Vinylogous amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole-3-acetic acid derivative - N-alkylindole - Indole - 2-pyridylmethylamine - Aryl ketone - Aralkylamine - Keto acid - Alpha-keto acid - Piperidine - Benzenoid - Pyridine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Methyl ester - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Ketone - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2417435 | Certificate of Analysis | Mar 20, 2024 | M665247 |
| Molecular Weight | 377.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 377.174 Da |
| Monoisotopic Mass | 377.174 Da |
| Topological Polar Surface Area | 64.400 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 561.000 |
| 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 |
![Methyl 2-oxo-2-(1-{1-[(pyridin-2-yl)methyl]piperidin-4-yl}-1H-indol-3-yl)acetate - ≥90% CAS No(616898-64-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/m/6/m665247.jpg)