≥90% 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 | COC1=C(C=C(C=C1)C2=NC3=C(C=C2)C4=C(S3)C(=O)NC(=O)N4)OC |
|---|---|
| IUPAC Name | 11-(3,4-dimethoxyphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione |
| InChIKey | QHHNMVPWOFBZQR-UHFFFAOYSA-N |
| INCHI | 1S/C17H13N3O4S/c1-23-11-6-3-8(7-12(11)24-2)10-5-4-9-13-14(25-16(9)18-10)15(21)20-17(22)19-13/h3-7H,1-2H3,(H2,19,20,21,22) |
| Isomeric SMILES | COC1=C(C=C(C=C1)C2=NC3=C(C=C2)C4=C(S3)C(=O)NC(=O)N4)OC |
| PubChem CID | 1089981 |
| Molecular Weight | 355.37 |
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 | Dimethoxybenzenes Thienopyrimidines Thienopyridines Anisoles Phenoxy compounds Alkyl aryl ethers Pyrimidones Vinylogous amides Thiophenes Heteroaromatic compounds Lactams Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylpyridine - Dimethoxybenzene - O-dimethoxybenzene - Thienopyridine - Thienopyrimidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Pyrimidone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Vinylogous amide - Thiophene - Heteroaromatic compound - Urea - Lactam - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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 | 355.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 355.063 Da |
| Monoisotopic Mass | 355.063 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 25 |
| 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 |
![11-(3,4-Dimethoxyphenyl)-6-hydroxy-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one - ≥90% CAS No(665001-01-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D955950.jpg)