≥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 | CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)C(C)(C)O)C |
|---|---|
| IUPAC Name | 2-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]propan-2-ol |
| InChIKey | BHTOEBTYCXDAEE-UHFFFAOYSA-N |
| INCHI | 1S/C19H19FN4O2/c1-10-7-12-14(23-10)5-6-15(16(12)20)26-18-17-11(2)13(19(3,4)25)8-24(17)22-9-21-18/h5-9,23,25H,1-4H3 |
| Isomeric SMILES | CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NN4C3=C(C(=C4)C(C)(C)O)C |
| PubChem CID | 22337996 |
| Molecular Weight | 354.39 |
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 |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents | Pyrrolo[2,1-f][1,2,4]triazines Indoles Phenol ethers Substituted pyrroles Aryl fluorides 1,2,4-triazines Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diaryl ether - Pyrrolo[2,1-f][1,2,4]triazine - Indole - Indole or derivatives - Phenol ether - Aryl fluoride - Aryl halide - Substituted pyrrole - Triazine - Benzenoid - 1,2,4-triazine - Pyrrole - Heteroaromatic compound - Tertiary alcohol - Azacycle - Organoheterocyclic compound - Alcohol - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic alcohol - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
| External Descriptors | Not available |
| Molecular Weight | 354.400 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 354.149 Da |
| Monoisotopic Mass | 354.149 Da |
| Topological Polar Surface Area | 75.400 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 522.000 |
| 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 |
![2-(4-((4-Fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-2-ol - ≥95% CAS No(649736-30-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/F/1/F1048929.jpg)