≥95% 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.
| Canonical Smiles | C1CC2CN(CC1O2)C3=NC(=NC4=C3C=NN4C5CCC6(CC5)OCCO6)Cl |
|---|---|
| IUPAC Name | 3-[6-chloro-1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-8-oxa-3-azabicyclo[3.2.1]octane |
| InChIKey | NBCYBRMEUCHHLV-UHFFFAOYSA-N |
| INCHI | 1S/C19H24ClN5O3/c20-18-22-16(24-10-13-1-2-14(11-24)28-13)15-9-21-25(17(15)23-18)12-3-5-19(6-4-12)26-7-8-27-19/h9,12-14H,1-8,10-11H2 |
| Molecular Weight | 405.900 |
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 | Pyrazolopyrimidines |
| Subclass | Pyrazolo[3,4-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[3,4-d]pyrimidines |
| Alternative Parents | Dialkylarylamines 2-halopyrimidines Ketals Aminopyrimidines and derivatives Azepanes Morpholines Imidolactams Aryl chlorides Tetrahydrofurans Pyrazoles 1,3-dioxolanes Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organochlorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[3,4-d]pyrimidine - Dialkylarylamine - Aminopyrimidine - 2-halopyrimidine - Ketal - Azepane - Halopyrimidine - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Imidolactam - Pyrimidine - Meta-dioxolane - Azole - Heteroaromatic compound - Pyrazole - Tetrahydrofuran - Oxacycle - Ether - Dialkyl ether - Acetal - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 405.900 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 405.157 Da |
| Monoisotopic Mass | 405.157 Da |
| Topological Polar Surface Area | 74.500 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 572.000 |
| 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 |
![3-(6-chloro-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane - ≥95% , CAS No.1144080-35-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)