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Home/Compounds/CAS 144598-75-4
Formula C23H27FN4O3MW 426.5Research-use catalog entryCOA/SDS by request

Paliperidone

CAS Number: 144598-75-4

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Loading RDKit molecule structure...
InChIKey: PMXMIIMHBWHSKN-UHFFFAOYSA-NC23H27FN4O3 | MW 426.5

Chemical Absolute Identifiers

CAS Number

144598-75-4

PubChem CID

115237

Molecular Formula

C23H27FN4O3

Molecular Weight

426.5 g/mol

Exact Mass

426.206719

InChIKey

PMXMIIMHBWHSKN-UHFFFAOYSA-N

IUPAC Name

3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

SMILES String

CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

Physical Properties

Appearance

Crystals from 2-propanol

Melting Point

179.8 °C

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Paliperidone (CAS 144598-75-4) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C23H27FN4O3 and molecular weight 426. 50 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Pharmaceutical Intermediate ResearchResearch intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: 5-hydroxytryptamine receptor 2A (Homo sapiens) — 2 assays; D(2) dopamine receptor (Homo sapiens) — 2 assays; D(1A) dopamine receptor (Homo sapiens) — 3 assays; Voltage-gated inwardly rectifying potassium channel KCNH2 (Homo sapiens) — 5 assays; Protein deacetylase HDAC6 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

5-hydroxytryptamine receptor 2A

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 9.08

Experimental evidence source: ChEMBL

D(2) dopamine receptor

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 8.8

Experimental evidence source: ChEMBL

D(1A) dopamine receptor

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 6.26

Experimental evidence source: ChEMBL

Voltage-gated inwardly rectifying potassium channel KCNH2

Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 3 documents · best pChEMBL 6

Experimental evidence source: ChEMBL

Protein deacetylase HDAC6

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Paliperidone

Names & Synonyms

9-HydroxyrisperidoneInvegaPaliperidona4H-Pyrido[1,2-a]pyrimidin-4-one, 3-[2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-R 76477
Show all synonyms
3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-(9RS)-3-(2-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl))ethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-4-one4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8-tetrahydro-9-hydroxy-2-methyl-4H-Pyrido(2,1-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-3-(2-(4-(6-fluro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-9-hydroxy-2-methyl-paliperidonumTrevicta9 OH risperidone(9RS)-3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one3-(2-(4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl)ethyl)-9-hydroxy-2-methyl-4H,6H,7H,8H,9H-pyrido(1,2-a)pyrimidin-4-one9 Hydroxyrisperidone9 Hydroxy risperidone3-(2-(4-(6-fluoro-3-(1,2-benzisoxazolyl))-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one9-Hydroxy-risperidone
External Identifiers
EC NUMBER: 620-493-1DSSTOX SUBSTANCE ID: DTXSID7049059CHEMBL ID: CHEMBL1621CHEBI ID: CHEBI:83804UNII: 838F01T721DRUGBANK ID: DB01267HMDB ID: HMDB0015396KEGG ID: C21516KEGG ID: D05339METABOLOMICS WORKBENCH ID: 43472NCI THESAURUS CODE: C66293PHARMGKB ID: PA163518919RXCUI: 679314WIKIDATA ID: Q423292
Experimental Spectrum References
13C NMR SpectraATR-IR Spectra — Forensic Spectral ResearchFTIR Spectra — Forensic Spectral Research
Literature & Patent References
DOI 10.1021/acs.jmedchem.5c00056Substrate Specificity of the Organic Cation Transporters MATE1 and MATE2K and Functional Overlap with OCT1 and OCT2.PMID 40512599Substrate Specificity of the Organic Cation Transporters MATE1 and MATE2K and Functional Overlap with OCT1 and OCT2.DOI 10.1021/acs.jmedchem.4c00537Natural Product-Inspired Dopamine Receptor Ligands.DOI 10.5281/zenodo.13943903Linking interpersonal differences in gut microbiota composition and drug biotransformation activityPMID 39038276Natural Product-Inspired Dopamine Receptor Ligands.DOI 10.1021/acs.jmedchem.2c01075Substrates and Inhibitors of the Organic Cation Transporter 3 and Comparison with OCT1 and OCT2.PMID 36067397Substrates and Inhibitors of the Organic Cation Transporter 3 and Comparison with OCT1 and OCT2.DOI 10.1021/acs.jmedchem.0c02011Development of an <i>In Silico</i> Prediction Model for P-glycoprotein Efflux Potential in Brain Capillary Endothelial Cells toward the Prediction of Brain Penetration.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

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What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

Show non-linked catalog cues

Non-public related references

Paliperidone PalmitateCAS 199739-10-1
3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido(1,2-a)-pyrimidin-4-oneCAS 130049-82-0
9-Hydroxy-3-(2-hydroxyethyl)-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-oneCAS 181525-38-2
3-(2-Chloroethyl)-2-methyl-9-(phenylmethoxy)-4H-pyrido(1,2-a)pyrimidin-4-oneCAS 147687-17-0

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 199739-10-1Paliperidone PalmitateCAS 130049-82-03-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido(1,2-a)-pyrimidin-4-oneCAS 106516-24-9SertindoleCAS 132539-06-1OlanzapineCAS 169590-42-5CelecoxibCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

RFQ questions for CAS 144598-75-4

What are the key identifiers for Paliperidone (CAS 144598-75-4)?

Paliperidone is identified by CAS 144598-75-4, with molecular formula C23H27FN4O3, molecular weight 426.5, InChIKey PMXMIIMHBWHSKN-UHFFFAOYSA-N.

Does CAS 144598-75-4 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with 5-hydroxytryptamine receptor 2A, D(2) dopamine receptor, D(1A) dopamine receptor, Voltage-gated inwardly rectifying potassium channel KCNH2, Protein deacetylase HDAC6. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 144598-75-4?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Paliperidone?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

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