≥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=C(C2=C(N(C1=O)C)N(C(=O)N(C2=O)C3CC3)C4=C(C=C(C=C4)I)F)NC5=CC(=CC=C5)NC(=O)C |
|---|---|
| IUPAC Name | N-[3-[[3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide |
| InChIKey | VUCVSBZRQBGJPT-UHFFFAOYSA-N |
| INCHI | 1S/C26H23FIN5O4/c1-13-22(30-17-6-4-5-16(12-17)29-14(2)34)21-23(31(3)24(13)35)33(20-10-7-15(28)11-19(20)27)26(37)32(25(21)36)18-8-9-18/h4-7,10-12,18,30H,8-9H2,1-3H3,(H,29,34) |
| Isomeric SMILES | CC1=C(C2=C(N(C1=O)C)N(C(=O)N(C2=O)C3CC3)C4=C(C=C(C=C4)I)F)NC5=CC(=CC=C5)NC(=O)C |
| Alternate CAS | 871700-25-3 |
| PubChem CID | 59717354 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetanilides |
| Alternative Parents | Pyrido[2,3-d]pyrimidines N-acetylarylamines Polyhalopyridines Pyrimidones N-acyl ureas Methylpyridines Iodobenzenes Fluorobenzenes Dihydropyridines N-acyl amines Hydropyrimidines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Dicarboximides Acetamides Lactams Amino acids and derivatives Vinyl iodides Vinyl fluorides Iodoalkenes Fluoroalkenes Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Acetanilide - N-acetylarylamine - Polyhalopyridine - N-arylamide - Methylpyridine - Ureide - Pyrimidone - N-acyl urea - Iodobenzene - Halobenzene - Fluorobenzene - Dihydropyridine - Pyrimidine - Pyridine - N-acyl-amine - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Acetamide - Vinylogous amide - Tertiary carboxylic acid amide - Dicarboximide - Urea - Carbonic acid derivative - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Iodoalkene - Fluoroalkene - Haloalkene - Organoheterocyclic compound - Vinyl iodide - Vinyl halide - Vinyl fluoride - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 615.400 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 615.078 Da |
| Monoisotopic Mass | 615.078 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 1090.000 |
| 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 |
![N-[3-[[3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-1,2,3,4,7,8-hexahydro-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]acetamide - ≥95% , CAS No.871700-25-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)