≥98%(HPLC) 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.
| Canonical Smiles | C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)C(=CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | N-[(Z)-3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide |
| InChIKey | CMBUSPXASRNJHI-CLCOLTQESA-N |
| INCHI | 1S/C27H25BrN2O3/c28-23-13-11-22(12-14-23)27(33)15-17-30(18-16-27)26(32)24(19-20-7-3-1-4-8-20)29-25(31)21-9-5-2-6-10-21/h1-14,19,33H,15-18H2,(H,29,31)/b24-19- |
| Isomeric SMILES | C1CN(CCC1(C2=CC=C(C=C2)Br)O)C(=O)/C(=C/C3=CC=CC=C3)/NC(=O)C4=CC=CC=C4 |
| PubChem CID | 5433970 |
| Molecular Weight | 505.41 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzamides |
| Direct Parent | Hippuric acids and derivatives |
| Alternative Parents | N-acyl-alpha amino acids and derivatives Alpha amino acid amides Cinnamic acids and derivatives Phenylpiperidines N-acylpiperidines Benzoyl derivatives Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Tertiary alcohols Secondary carboxylic acid amides Azacyclic compounds Organobromides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Phenylpiperidine - Alpha-amino acid or derivatives - N-acyl-piperidine - Benzoyl - Bromobenzene - Halobenzene - Piperidine - Aryl bromide - Aryl halide - Tertiary alcohol - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine. |
| 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 |
|---|
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 50.54, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 505.400 g/mol |
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 504.105 Da |
| Monoisotopic Mass | 504.105 Da |
| Topological Polar Surface Area | 69.600 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 696.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
