≥98% 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=NC2=CC=CC=C2C(=C1C(C(=O)OC)OC(C)(C)C)C3=C4C5=C(C=C3)OCCC5=CC=N4 |
|---|---|
| IUPAC Name | methyl (2S)-2-[2-methyl-4-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate |
| InChIKey | FTLQIPSKSMKJMS-SANMLTNESA-N |
| INCHI | 1S/C28H28N2O4/c1-16-22(26(27(31)32-5)34-28(2,3)4)24(18-8-6-7-9-20(18)30-16)19-10-11-21-23-17(13-15-33-21)12-14-29-25(19)23/h6-12,14,26H,13,15H2,1-5H3/t26-/m0/s1 |
| Isomeric SMILES | CC1=NC2=CC=CC=C2C(=C1[C@@H](C(=O)OC)OC(C)(C)C)C3=C4C5=C(C=C3)OCCC5=CC=N4 |
| PubChem CID | 70854410 |
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 | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Quinolines and derivatives 1-benzopyrans Methylpyridines Alkyl aryl ethers Benzenoids Methyl esters Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-phenylpyridine - Benzopyran - Quinoline - 1-benzopyran - Alkyl aryl ether - Methylpyridine - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 456.500 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 456.205 Da |
| Monoisotopic Mass | 456.205 Da |
| Topological Polar Surface Area | 70.500 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 724.000 |
| 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 |
![(S)-methyl 2-(tert-butoxy)-2-((R)-4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl)acetate - ≥98% , CAS No.1402714-51-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)