≥98% 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.
OBAA (3-(4-Octadecyl)-benzoylacrylic acid) is a potent inhibitor and therefore useful experimental tool for PLA2 (phospholipase A2). OBAA specifically displayed ability to inhibit PLA2 from snake venom, but not from porcine pancreas. OBAA was observed in experiments to inhibit Na+ concentration increase induced by thapsigargin and blocks Ca|2+|entry into pathogenic|Tyrpanosoma brucei|.
| pKa | pKa: 3.21 (Predicted) |
|---|
| Canonical Smiles | CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C=CC(=O)O |
|---|---|
| IUPAC Name | 4-(4-octadecylphenyl)-4-oxobut-2-enoic acid |
| InChIKey | ZBESASFHIWDSCJ-UHFFFAOYSA-N |
| INCHI | 1S/C28H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-21-26(22-20-25)27(29)23-24-28(30)31/h19-24H,2-18H2,1H3,(H,30,31) |
| Isomeric SMILES | CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C=CC(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 428.65 |
| Reaxy-Rn | 31122579 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31122579&ln= |
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 | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Aryl ketones Enones Acryloyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl ketone - Benzoyl - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | Not available |
| Solubility | Soluble in DMSO (≥5 mg/ml at 60° C), 100% ethanol (5 mg/ml), and methanol. |
|---|---|
| Refractive Index | n20D1.51 (Predicted) |
| Boil Point(°C) | 558.65° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 230.75° C (Predicted) |
| Molecular Weight | 428.600 g/mol |
| XLogP3 | 10.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 20 |
| Exact Mass | 428.329 Da |
| Monoisotopic Mass | 428.329 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 475.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
