≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | COC1=C(C=C(C=C1)C2=NC3=C(C(=C2)C(=O)O)SC(=N3)N4CCCCC4)OC |
|---|---|
| IUPAC Name | 5-(3,4-dimethoxyphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid |
| InChIKey | ZBLKPNYMTKPSHR-UHFFFAOYSA-N |
| INCHI | 1S/C20H21N3O4S/c1-26-15-7-6-12(10-16(15)27-2)14-11-13(19(24)25)17-18(21-14)22-20(28-17)23-8-4-3-5-9-23/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,24,25) |
| Molecular Weight | 399.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | Dimethoxybenzenes Pyridinecarboxylic acids Phenoxy compounds Dialkylarylamines Anisoles Alkyl aryl ethers Piperidines 2-amino-1,3-thiazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylpyridine - Dimethoxybenzene - O-dimethoxybenzene - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Anisole - Phenol ether - Phenoxy compound - Dialkylarylamine - Methoxybenzene - Alkyl aryl ether - 1,3-thiazol-2-amine - Benzenoid - Monocyclic benzene moiety - Piperidine - Heteroaromatic compound - Azole - Thiazole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organopnictogen 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 | 399.500 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 399.125 Da |
| Monoisotopic Mass | 399.125 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 548.000 |
| 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 |
![5-(3,4-Dimethoxyphenyl)-2-(piperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid - ≥95% , CAS No.852388-76-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)