≥95%, stabilized with TBC for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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)C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)O |
|---|---|
| IUPAC Name | methyl 2-[(3S)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-hydroxypropyl]benzoate |
| InChIKey | KPCSDMZEMDMWKQ-SPNSGGJLSA-N |
| INCHI | 1S/C28H24ClNO3/c1-33-28(32)25-8-3-2-6-20(25)12-16-27(31)22-7-4-5-19(17-22)9-14-24-15-11-21-10-13-23(29)18-26(21)30-24/h2-11,13-15,17-18,27,31H,12,16H2,1H3/b14-9+/t27-/m0/s1 |
| Isomeric SMILES | COC(=O)C1=CC=CC=C1CC[C@@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)O |
| PubChem CID | 9955783 |
| Molecular Weight | 457.96 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Linear 1,3-diarylpropanoids |
| Alternative Parents | Chloroquinolines Benzoic acid esters Styrenes Benzoyl derivatives Pyridines and derivatives Aryl chlorides Methyl esters Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Linear 1,3-diarylpropanoid - Haloquinoline - Chloroquinoline - Benzoate ester - Quinoline - Benzoic acid or derivatives - Benzoyl - Styrene - Benzenoid - Aryl chloride - Aryl halide - Pyridine - Monocyclic benzene moiety - Methyl ester - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Aromatic alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together. |
| 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 |
|---|---|---|---|
 L2502536 | Certificate of Analysis | Oct 11, 2025 | M735403 |
| L2502537 | Certificate of Analysis | Oct 11, 2025 | M735403 |
| L2502542 | Certificate of Analysis | Oct 11, 2025 | M735403 |
| L2502543 | Certificate of Analysis | Oct 11, 2025 | M735403 |
| Molecular Weight | 457.900 g/mol |
|---|---|
| XLogP3 | 6.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 457.144 Da |
| Monoisotopic Mass | 457.144 Da |
| Topological Polar Surface Area | 59.400 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 655.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
