for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1COCCN1CC2=CC(=CC=C2)C3=CC4=NC=CC(=C4S3)NC5=CC(=CC=C5)O |
|---|---|
| IUPAC Name | 3-[[2-[3-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-yl]amino]phenol |
| InChIKey | ZCWXCBKGPJOAFQ-UHFFFAOYSA-N |
| INCHI | 1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26) |
| Molecular Weight | 417.5 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Thienopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyridines |
| Alternative Parents | 2,3,5-trisubstituted thiophenes Aniline and substituted anilines Benzylamines Phenylmethylamines m-Aminophenols 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Aminopyridines and derivatives 1-hydroxy-4-unsubstituted benzenoids Morpholines Primary aromatic amines Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Secondary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thienopyridine - Aminophenol - M-aminophenol - Phenylmethylamine - 2,3,5-trisubstituted thiophene - Aniline or substituted anilines - Benzylamine - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aminopyridine - Aralkylamine - Pyridine - Oxazinane - Benzenoid - Primary aromatic amine - Monocyclic benzene moiety - Morpholine - Thiophene - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Dialkyl ether - Oxacycle - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Molecular Weight | 417.500 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 417.151 Da |
| Monoisotopic Mass | 417.151 Da |
| Topological Polar Surface Area | 85.900 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 547.000 |
| 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 |
![3-(2-(3-(Morpholinomethyl)phenyl)thieno[3,2-b]pyridin-7-ylamino)phenol - CAS No(1228102-01-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/1/M1259919.jpg)