≥98% 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=CC(=C(C=C1C2CCN(CC2)C(=O)OC(C)(C)C)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl |
|---|---|
| IUPAC Name | tert-butyl 4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidine-1-carboxylate |
| InChIKey | XZEGNDOSDCUVAJ-UHFFFAOYSA-N |
| INCHI | 1S/C33H44ClN5O5S/c1-20(2)43-28-18-24(23-13-15-39(16-14-23)32(40)44-33(6,7)8)22(5)17-27(28)37-31-35-19-25(34)30(38-31)36-26-11-9-10-12-29(26)45(41,42)21(3)4/h9-12,17-21,23H,13-16H2,1-8H3,(H2,35,36,37,38) |
| Isomeric SMILES | CC1=CC(=C(C=C1C2CCN(CC2)C(=O)OC(C)(C)C)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl |
| Alternate CAS | 1032903-64-2 |
| PubChem CID | 66876952 |
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 | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Piperidinecarboxylic acids Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Aniline and substituted anilines Toluenes Alkyl aryl ethers Aminopyrimidines and derivatives Halopyrimidines Imidolactams Aryl chlorides Sulfones Heteroaromatic compounds Carbamate esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Amines Organochlorides Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperidine - Piperidinecarboxylic acid - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Aminopyrimidine - Toluene - Alkyl aryl ether - Halopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Carbamic acid ester - Sulfonyl - Sulfone - Azacycle - Ether - Organic oxide - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 658.300 g/mol |
|---|---|
| XLogP3 | 7.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 11 |
| Exact Mass | 657.275 Da |
| Monoisotopic Mass | 657.275 Da |
| Topological Polar Surface Area | 131.000 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1060.000 |
| 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 |
