for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)CN4CCC5=CC=CC=C5C4)C |
|---|---|
| IUPAC Name | ethyl 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate |
| InChIKey | VAXADGNCVQLABU-UHFFFAOYSA-N |
| INCHI | 1S/C26H25NO4/c1-3-30-26(29)22-16(2)31-25-20-11-7-6-10-19(20)24(28)21(23(22)25)15-27-13-12-17-8-4-5-9-18(17)14-27/h4-11,28H,3,12-15H2,1-2H3 |
| Peso molecular | 415.500 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Naphthofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthofurans |
| Alternative Parents | Naphthols and derivatives Tetrahydroisoquinolines Benzofurans Furoic acid esters Furan-3-carboxylic acid esters Aralkylamines Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthofuran - 1-naphthol - Tetrahydroisoquinoline - Naphthalene - Furoic acid ester - Benzofuran - Furoic acid or derivatives - Furan-3-carboxylic acid ester - Furan-3-carboxylic acid or derivatives - Aralkylamine - Benzenoid - Heteroaromatic compound - Furan - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as naphthofurans. These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. |
| External Descriptors | Not available |
| Peso molecular | 415.500 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 415.178 Da |
| Monoisotopic Mass | 415.178 Da |
| Topological Polar Surface Area | 62.900 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 641.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![ethyl 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-5-hydroxy-2-methylnaphtho[1,2-b]furan-3-carboxylate , CAS No.438488-44-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)