10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
Information
Evodine Evodine, a natural product extracted from Evodiae fructus (EF), is a biomarker for quality assessment of EF in the Chinese Pharmacopoeia. Evodine is a potent P-gp inhibitor.
| ALogP | 3.022 |
|---|---|
| hba_count | 5 |
| Recuento HBD | 1 |
| Enlace rotable | 6 |
| Sonrisas canónicas | CC(=C)C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O |
|---|---|
| IUPAC Name | 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbut-3-en-2-ol |
| InChIKey | LNJTUUHDKCPQAA-UHFFFAOYSA-N |
| INCHI | 1S/C18H19NO5/c1-10(2)13(20)9-24-14-6-5-11-15(17(14)22-4)19-18-12(7-8-23-18)16(11)21-3/h5-8,13,20H,1,9H2,2-4H3 |
| Isómeros SMILES | CC(=C)C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O |
| Peso molecular | 329.35 |
| Reaxy-Rn | 574679 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=574679&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 | Organoheterocyclic compounds |
| Clase | Quinolines and derivatives |
| Subclass | Furanoquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Furanoquinolines |
| Alternative Parents | Furopyridines Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Furans Secondary alcohols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Furanoquinoline - Furopyridine - Anisole - Alkyl aryl ether - Pyridine - Benzenoid - Furan - Heteroaromatic compound - Secondary alcohol - Oxacycle - Ether - Azacycle - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as furanoquinolines. These are compounds containing a furan ring fused to a quinoline. |
| External Descriptors | Not available |
| DMSO (mg/ml) Solubilidad máxima | 66 |
|---|---|
| DMSO (mM) Solubilidad máxima | 200.394716866555 |
| Agua (mg/ml) Solubilidad máxima | -1 |
| Peso molecular | 329.300 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 329.126 Da |
| Monoisotopic Mass | 329.126 Da |
| Topological Polar Surface Area | 74.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 445.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
