≥97% 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.
| Sonrisas canónicas | COC(=O)C1CC2=C(C(N1)C3=CC=CC=C3Br)NC4=CC=CC=C24 |
|---|---|
| IUPAC Name | methyl 1-(2-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate |
| InChIKey | QXOOUBWXLCUYFT-UHFFFAOYSA-N |
| INCHI | 1S/C19H17BrN2O2/c1-24-19(23)16-10-13-11-6-3-5-9-15(11)21-18(13)17(22-16)12-7-2-4-8-14(12)20/h2-9,16-17,21-22H,10H2,1H3 |
| Isómeros SMILES | COC(=O)C1CC2=C(C(N1)C3=CC=CC=C3Br)NC4=CC=CC=C24 |
| PubChem CID | 3482913 |
| Peso molecular | 385.3 |
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 | Alkaloids and derivatives |
| Clase | Harmala alkaloids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Harmala alkaloids |
| Alternative Parents | Alpha amino acid esters Beta carbolines 3-alkylindoles Aralkylamines Bromobenzenes Aryl bromides Pyrroles Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Harman - Alpha-amino acid ester - Beta-carboline - Pyridoindole - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Bromobenzene - Halobenzene - Aralkylamine - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrrole - Methyl ester - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Azacycle - Carbonyl group - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organobromide - Amine - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole. |
| External Descriptors | Not available |
| Peso molecular | 385.300 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 384.047 Da |
| Monoisotopic Mass | 384.047 Da |
| Topological Polar Surface Area | 54.100 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 474.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![methyl 1-(2-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate - ≥97% , CAS No.528523-10-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)