for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | COC1=C(C=C(C=C1)CN2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)Cl)F |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)-4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine |
| InChIKey | LJCGBOSBJNWTFJ-UHFFFAOYSA-N |
| INCHI | 1S/C24H22ClFN4OS/c1-31-21-7-2-16(12-20(21)26)13-29-8-10-30(11-9-29)23-22-19(14-32-24(22)28-15-27-23)17-3-5-18(25)6-4-17/h2-7,12,14-15H,8-11,13H2,1H3 |
| Peso molecular | 469 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Thienopyrimidines Benzylamines Dialkylarylamines Methoxybenzenes Anisoles Phenoxy compounds Phenylmethylamines N-alkylpiperazines Aralkylamines Fluorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Imidolactams Aryl fluorides Heteroaromatic compounds Thiophenes Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organochlorides Organofluorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Thienopyrimidine - Anisole - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Pyrimidine - Aryl fluoride - Imidolactam - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 469.000 g/mol |
|---|---|
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 468.119 Da |
| Monoisotopic Mass | 468.119 Da |
| Topological Polar Surface Area | 69.700 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 605.000 |
| 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 |
![5-(4-Chlorophenyl)-4-(4-(3-fluoro-4-methoxybenzyl)piperazin-1-yl)thieno[2,3-d]pyrimidine , CAS No.433703-21-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)