Iloperidone
TL;DR: Iloperidone (CAS 133454-47-4) is a chemical compound with molecular formula C24H27FN2O4 and molecular weight 426.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
Also Known As: Iloperidone, Zomaril, Fanapt, Fanapta, iloperidona
| Molecular Formula | C24H27FN2O4 |
|---|---|
| Molecular Weight | 426.20 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 64.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.1955 |
| Heavy Atoms | 31 |
| Complexity | 586.0 |
| Melting Point | 118-120 °C |
| Solubility | Practically insoluble in water |
Chemical Identifiers
| CAS Number | 133454-47-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC |
| InChIKey | XMXHEBAFVSFQEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iloperidone (CAS 133454-47-4), with molecular formula C24H27FN2O4 and molecular weight 426.20 g/mol. IUPAC: 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone.
Chemical Property Profile of Iloperidone
Property Insights of Iloperidone
The XLogP value of 4.1 indicates that Iloperidone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Iloperidone. Following Lipinski's Rule of Five, Iloperidone has 0 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 Iloperidone?
The CAS number of Iloperidone is 133454-47-4.
What is the molecular formula of Iloperidone?
The molecular formula of Iloperidone is C24H27FN2O4.
What is the molecular weight of Iloperidone?
The molecular weight of Iloperidone is 426.20 g/mol.
Where can I buy Iloperidone?
You can request a quote for Iloperidone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iloperidone?
Yes, KEHONG BIO provides custom synthesis services for Iloperidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.