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 | CCOCCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)N4C=C(C=CC4=N2)C |
|---|---|
| IUPAC Name | 7-(3-ethoxypropyl)-6-imino-13-methyl-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one |
| InChIKey | BNSHWEKHNGIVJJ-UHFFFAOYSA-N |
| INCHI | 1S/C24H26N4O4S/c1-4-32-13-5-12-27-22(25)20(33(30,31)18-9-6-16(2)7-10-18)14-19-23(27)26-21-11-8-17(3)15-28(21)24(19)29/h6-11,14-15,25H,4-5,12-13H2,1-3H3 |
| Molecular Weight | 466.600 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridopyrimidines |
| Subclass | Pyrido[2,3-d]pyrimidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrido[2,3-d]pyrimidines |
| Alternative Parents | Tosyl compounds Benzenesulfonyl compounds Pyrimidones Methylpyridines Imidolactams Vinylogous amides Sulfones Heteroaromatic compounds Lactams Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrido[2,3-d]pyrimidine - Tosyl compound - Benzenesulfonyl group - Methylpyridine - Pyrimidone - Toluene - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Sulfone - Sulfonyl - Heteroaromatic compound - Vinylogous amide - Lactam - Dialkyl ether - Azacycle - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position. |
| External Descriptors | Not available |
| Molecular Weight | 466.600 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 466.167 Da |
| Monoisotopic Mass | 466.167 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 1100.000 |
| 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 |
![1-(3-ethoxypropyl)-2-imino-8-methyl-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one - CAS No(606963-09-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/E/9/E935137.jpg)