≥98% 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.
| Sonrisas canónicas | CC1=C2C(C3=C(CC(CC3=O)(C)C)NC2=NN1)C4=CC=NC=C4 |
|---|---|
| IUPAC Name | 3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one |
| InChIKey | PTZKYSSXHZXQEM-UHFFFAOYSA-N |
| INCHI | 1S/C18H20N4O/c1-10-14-15(11-4-6-19-7-5-11)16-12(20-17(14)22-21-10)8-18(2,3)9-13(16)23/h4-7,15H,8-9H2,1-3H3,(H2,20,21,22) |
| Isómeros SMILES | CC1=C2C(C3=C(CC(CC3=O)(C)C)NC2=NN1)C4=CC=NC=C4 |
| PubChem CID | 3263182 |
| Peso molecular | 308.38 |
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 | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Cyclic ketones |
| Direct Parent | Cyclohexenones |
| Alternative Parents | Pyridines and derivatives Imidolactams Pyrazolines Heteroaromatic compounds Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cyclohexenone - Pyridine - Imidolactam - Pyrazoline - Heteroaromatic compound - Carboxylic acid amidrazone - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amidine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. |
| External Descriptors | Not available |
| Peso molecular | 308.400 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 308.164 Da |
| Monoisotopic Mass | 308.164 Da |
| Topological Polar Surface Area | 70.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 535.000 |
| 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 |
![3,7,7-trimethyl-4-(4-pyridinyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one - ≥98% , CAS No.865658-71-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)