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.
| ALogP | 5.8 |
|---|
| Sonrisas canónicas | CC(C)OC1=CC=C(C=C1F)C1=NN([C@H](C)C2=C(C3=CC(F)=CC=C3)C(=O)C3=C(O2)C=CC(F)=C3)C2=NC=NC(N)=C12 |
|---|---|
| IUPAC Name | 2-[(1R)-1-[4-amino-3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-fluoro-3-(3-fluorophenyl)chromen-4-one |
| InChIKey | IUVCFHHAEHNCFT-MRXNPFEDSA-N |
| INCHI | 1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)/t16-/m1/s1 |
| Isómeros SMILES | C[C@H](C1=C(C(=O)C2=C(O1)C=CC(=C2)F)C3=CC(=CC=C3)F)N4C5=NC=NC(=C5C(=N4)C6=CC(=C(C=C6)OC(C)C)F)N |
| PubChem CID | 74223036 |
| Peso molecular | 571.5 |
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 | Phenylpropanoids and polyketides |
| Clase | Isoflavonoids |
| Subclass | Isoflav-2-enes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoflavones |
| Alternative Parents | Chromones Phenylpyrazoles Pyrazolo[3,4-d]pyrimidines Phenol ethers Phenoxy compounds Alkyl aryl ethers Fluorobenzenes Pyranones and derivatives Aminopyrimidines and derivatives Imidolactams Aryl fluorides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Primary amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoflavone - Chromone - Phenylpyrazole - Benzopyran - 1-benzopyran - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Phenoxy compound - Phenol ether - Aminopyrimidine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyranone - Imidolactam - Benzenoid - Pyran - Aryl fluoride - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Pyrazole - Azole - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Azacycle - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Primary amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Peso molecular | 571.500 g/mol |
|---|---|
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 6 |
| Exact Mass | 571.183 Da |
| Monoisotopic Mass | 571.183 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 1020.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
![2-[(1R)-1-{4-amino-3-[3-fluoro-4-(propan-2-yloxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}ethyl]-6-fluoro-3-(3-fluorophenyl)-4H-chromen-4-one - CAS No(1532533-69-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/R/6/R669770.jpg)