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.
| Sonrisas canónicas | CC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C(=C3C4=CC=C(C=C4)OC)C#N)N)N |
|---|---|
| IUPAC Name | 3,6-diamino-4-(4-methoxyphenyl)-2-(4-methylbenzoyl)thieno[2,3-b]pyridine-5-carbonitrile |
| InChIKey | MOEBRGWPSPJURT-UHFFFAOYSA-N |
| INCHI | 1S/C23H18N4O2S/c1-12-3-5-14(6-4-12)20(28)21-19(25)18-17(13-7-9-15(29-2)10-8-13)16(11-24)22(26)27-23(18)30-21/h3-10H,25H2,1-2H3,(H2,26,27) |
| Peso molecular | 414.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Phenylpyridines Thienopyridines Thiophene carboxylic acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Toluenes Alkyl aryl ethers Aminopyridines and derivatives Aminothiophenes Imidolactams Vinylogous amides Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organic oxides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl-phenylketone - 4-phenylpyridine - Thienopyridine - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Thiophene carboxylic acid or derivatives - Methoxybenzene - Aminopyridine - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Pyridine - Aminothiophene - Imidolactam - Benzenoid - Vinylogous amide - Thiophene - Heteroaromatic compound - Organoheterocyclic compound - Nitrile - Carbonitrile - Ether - Azacycle - Organopnictogen compound - Primary amine - Organic nitrogen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 414.500 g/mol |
|---|---|
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 414.115 Da |
| Monoisotopic Mass | 414.115 Da |
| Topological Polar Surface Area | 143.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 665.000 |
| 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 |
![3,6-Diamino-4-(4-methoxyphenyl)-2-(4-methylbenzoyl)thieno[2,3-b]pyridine-5-carbonitrile , CAS No.361477-96-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)