≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CCN1C2=NC(=NC=C2C=C(C1=O)Br)NC3=CC=C(C=C3)N4CCN(CC4)C |
|---|---|
| IUPAC Name | 6-bromo-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one |
| InChIKey | OHWBHQSNFBTBIT-UHFFFAOYSA-N |
| INCHI | 1S/C20H23BrN6O/c1-3-27-18-14(12-17(21)19(27)28)13-22-20(24-18)23-15-4-6-16(7-5-15)26-10-8-25(2)9-11-26/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23,24) |
| Isomeric SMILES | CCN1C2=NC(=NC=C2C=C(C1=O)Br)NC3=CC=C(C=C3)N4CCN(CC4)C |
| Alternate CAS | 1232030-40-8 |
| PubChem CID | 66760454 |
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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Pyrido[2,3-d]pyrimidines Aniline and substituted anilines Dialkylarylamines N-methylpiperazines Aminopyrimidines and derivatives Pyridinones Aryl bromides Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organooxygen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpiperazine - N-arylpiperazine - Pyridopyrimidine - Pyrido[2,3-d]pyrimidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - N-alkylpiperazine - N-methylpiperazine - Pyridinone - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 443.300 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 442.112 Da |
| Monoisotopic Mass | 442.112 Da |
| Topological Polar Surface Area | 64.599 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 585.000 |
| 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 |
![6-Bromo-8-ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one - ≥98% , CAS No.1232030-40-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)