帕利哌酮
TL;DR: 帕利哌酮 (CAS 144598-75-4) is a chemical compound with molecular formula C23H27FN4O3 and molecular weight 426.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
帕利哌酮
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
Also Known As: Paliperidone, 9-Hydroxyrisperidone, Invega, 9-OH-risperidone, xeplion
| Molecular Formula | C23H27FN4O3 |
|---|---|
| Molecular Weight | 426.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.20673 |
| Heavy Atoms | 31 |
| Complexity | 764.0 |
| Melting Point | 179.8 °C |
| Solubility | Practically insoluble in water |
Chemical Identifiers
| CAS Number | 144598-75-4 |
|---|---|
| SMILES | CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F |
| InChIKey | PMXMIIMHBWHSKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
帕利哌酮 (CAS 144598-75-4), with molecular formula C23H27FN4O3 and molecular weight 426.21 g/mol. IUPAC: 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.
Chemical Property Profile of 帕利哌酮
Property Insights of 帕利哌酮
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 帕利哌酮. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 帕利哌酮. Following Lipinski's Rule of Five, 帕利哌酮 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 帕利哌酮?
The CAS number of 帕利哌酮 is 144598-75-4.
What is the molecular formula of 帕利哌酮?
The molecular formula of 帕利哌酮 is C23H27FN4O3.
What is the molecular weight of 帕利哌酮?
The molecular weight of 帕利哌酮 is 426.21 g/mol.
Where can I buy 帕利哌酮?
You can request a quote for 帕利哌酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 帕利哌酮?
Yes, KEHONG BIO provides custom synthesis services for 帕利哌酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.