Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | 1.8 |
|---|
| Pubchem Sid | 528764956 |
|---|---|
| Sorrisos canónicos | CCOC1CCN(C(C1)C2=CC=C(C=C2)C(=O)O)CC3=C(C=C(C4=C3C=CN4)C)OC |
| IUPAC Name | 4-[(2S,4S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid |
| InChIKey | RENRQMCACQEWFC-UGKGYDQZSA-N |
| INCHI | 1S/C25H30N2O4/c1-4-31-19-10-12-27(22(14-19)17-5-7-18(8-6-17)25(28)29)15-21-20-9-11-26-24(20)16(2)13-23(21)30-3/h5-9,11,13,19,22,26H,4,10,12,14-15H2,1-3H3,(H,28,29)/t19-,22-/m0/s1 |
| SMILES isoméricas | CCO[C@H]1CCN([C@@H](C1)C2=CC=C(C=C2)C(=O)O)CC3=C(C=C(C4=C3C=CN4)C)OC |
| CAS alternativo | 1644670-37-0;1646321-63-2 |
| PubChem CID | 90467622 |
| Peso molecular | 422.52 |
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 |
| Classe | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Indoles Benzoic acids Benzoyl derivatives Anisoles Aralkylamines Alkyl aryl ethers Pyrroles Heteroaromatic compounds Trialkylamines Amino acids Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperidine - Benzoic acid or derivatives - Benzoic acid - Indole - Indole or derivatives - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Item |
|---|---|---|---|
| Certificate of Analysis | Oct 21, 2024 | I611135 | |
| Certificate of Analysis | Oct 21, 2024 | I611135 | |
| Certificate of Analysis | Oct 21, 2024 | I611135 | |
| Certificate of Analysis | Oct 21, 2024 | I611135 | |
| Certificate of Analysis | Oct 21, 2024 | I611135 | |
| Certificate of Analysis | Oct 21, 2024 | I611135 | |
| Certificate of Analysis | Oct 21, 2024 | I611135 | |
| Certificate of Analysis | Oct 21, 2024 | I611135 | |
| Certificate of Analysis | Oct 21, 2024 | I611135 | |
| Certificate of Analysis | Oct 21, 2024 | I611135 |
| Peso molecular | 422.500 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 422.221 Da |
| Monoisotopic Mass | 422.221 Da |
| Topological Polar Surface Area | 74.800 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 594.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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