≥98% 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 | CC1=CC=C(C=C1)/C=C(\C2=NC3=CC=CC=C3O2)/C(=O)C4=CC(=C(C(=C4)OC)OC)OC |
|---|---|
| IUPAC Name | (E)-2-(1,3-benzoxazol-2-yl)-3-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one |
| InChIKey | XGLXGSZNGFDZKV-UYRXBGFRSA-N |
| INCHI | 1S/C26H23NO5/c1-16-9-11-17(12-10-16)13-19(26-27-20-7-5-6-8-21(20)32-26)24(28)18-14-22(29-2)25(31-4)23(15-18)30-3/h5-15H,1-4H3/b19-13- |
| Molecular Weight | 429.5 |
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 | Phenylpropanoids and polyketides |
| Class | Linear 1,3-diarylpropanoids |
| Subclass | Chalcones and dihydrochalcones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Retrochalcones |
| Alternative Parents | Cinnamic acids and derivatives Benzoxazoles Phenoxy compounds Anisoles Aryl ketones Methoxybenzenes Benzoyl derivatives Toluenes Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Oxazoles Heteroaromatic compounds Enones Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Retrochalcone - Cinnamic acid or derivatives - Benzoxazole - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Methoxybenzene - Alkyl aryl ether - Toluene - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Acryloyl-group - Heteroaromatic compound - Azole - Oxazole - Enone - Ketone - Azacycle - Organoheterocyclic compound - Oxacycle - Ether - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aldehyde - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions. |
| External Descriptors | Not available |
| Molecular Weight | 429.500 g/mol |
|---|---|
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 429.158 Da |
| Monoisotopic Mass | 429.158 Da |
| Topological Polar Surface Area | 70.800 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 645.000 |
| 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 |
![(E)-2-(benzo[d]oxazol-2-yl)-3-(p-tolyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one - ≥98% , CAS No.496011-77-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)