≥95% 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 | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3C4CCCC4)S(=O)(=O)C5=CC=C(C=C5)Cl)C=C1 |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)sulfonyl-7-cyclopentyl-6-imino-13-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one |
| InChIKey | ZKDIENLNRMKFAU-UHFFFAOYSA-N |
| INCHI | 1S/C23H21ClN4O3S/c1-14-6-11-20-26-22-18(23(29)27(20)13-14)12-19(21(25)28(22)16-4-2-3-5-16)32(30,31)17-9-7-15(24)8-10-17/h6-13,16,25H,2-5H2,1H3 |
| Molecular Weight | 469.000 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Benzenesulfonyl compounds Pyrimidones Chlorobenzenes Methylpyridines Aryl chlorides Imidolactams Vinylogous amides Sulfones Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrido[2,3-d]pyrimidine - Benzenesulfonyl group - Chlorobenzene - Methylpyridine - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Sulfone - Lactam - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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 | 469.000 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 468.102 Da |
| Monoisotopic Mass | 468.102 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 1130.000 |
| 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 |
