≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | COC(=O)N1CCC(CC1)N2C3=C(C=N2)C(=NC(=N3)C4=CC=C(C=C4)NC(=O)NC5=CC=C(C=C5)CO)N6CCOCC6 |
|---|---|
| IUPAC Name | methyl 4-[6-[4-[[4-(hydroxymethyl)phenyl]carbamoylamino]phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate |
| InChIKey | DLIGFKRUAOAIBA-UHFFFAOYSA-N |
| INCHI | 1S/C30H34N8O5/c1-42-30(41)37-12-10-24(11-13-37)38-28-25(18-31-38)27(36-14-16-43-17-15-36)34-26(35-28)21-4-8-23(9-5-21)33-29(40)32-22-6-2-20(19-39)3-7-22/h2-9,18,24,39H,10-17,19H2,1H3,(H2,32,33,40) |
| Molecular Weight | 586.600 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | N-phenylureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylureas |
| Alternative Parents | Pyrazolo[3,4-d]pyrimidines Piperidinecarboxylic acids Benzyl alcohols Dialkylarylamines Aminopyrimidines and derivatives Morpholines Imidolactams Pyrazoles Methylcarbamates Heteroaromatic compounds Ureas Azacyclic compounds Oxacyclic compounds Dialkyl ethers Carbonyl compounds Aromatic alcohols Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-phenylurea - Pyrazolo[3,4-d]pyrimidine - Piperidinecarboxylic acid - Pyrazolopyrimidine - Benzyl alcohol - Dialkylarylamine - Aminopyrimidine - Morpholine - Oxazinane - Piperidine - Pyrimidine - Imidolactam - Methylcarbamate - Azole - Heteroaromatic compound - Pyrazole - Carbamic acid ester - Urea - Organoheterocyclic compound - Oxacycle - Azacycle - Dialkyl ether - Ether - Aromatic alcohol - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Alcohol - Primary alcohol - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. |
| External Descriptors | Not available |
| Molecular Weight | 586.600 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 586.265 Da |
| Monoisotopic Mass | 586.265 Da |
| Topological Polar Surface Area | 147.000 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 916.000 |
| 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 |
![Methyl 4-[6-[4-[[4-(hydroxymethyl)phenyl]carbamoylamino]phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate - ≥99% CAS No(1062172-60-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/9/M953487.jpg)