≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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)N2C=C(C3=C2N=CNC3=O)C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 7-(4-methylphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one |
| InChIKey | KELRPWLCINPZTR-UHFFFAOYSA-N |
| INCHI | 1S/C19H15N3O/c1-13-7-9-15(10-8-13)22-11-16(14-5-3-2-4-6-14)17-18(22)20-12-21-19(17)23/h2-12H,1H3,(H,20,21,23) |
| Molecular Weight | 301.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | Pyrrolo[2,3-d]pyrimidines Toluenes Pyrimidones Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-phenylpyrrole - 1-phenylpyrrole - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Pyrimidone - Toluene - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 301.300 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 301.122 Da |
| Monoisotopic Mass | 301.122 Da |
| Topological Polar Surface Area | 46.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 463.000 |
| 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 |
![7-(4-Methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol - ≥95% , CAS No.865546-60-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)