Palonosetron, (3aR)-
TL;DR: Palonosetron, (3aR)- (CAS 119904-90-4) is a chemical compound with molecular formula C19H24N2O and molecular weight 296.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one
Also Known As: Palonosetron, Palonosetron, (3aR)-, Onicit, Aloxi, 2-Qhbiqo
| Molecular Formula | C19H24N2O |
|---|---|
| Molecular Weight | 296.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.18887 |
| Heavy Atoms | 22 |
| Complexity | 456.0 |
| Solubility | 4.64e-01 g/L |
Chemical Identifiers
| CAS Number | 119904-90-4 |
|---|---|
| SMILES | C1C[C@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5 |
| InChIKey | CPZBLNMUGSZIPR-DOTOQJQBSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Palonosetron, (3aR)- (CAS 119904-90-4), with molecular formula C19H24N2O and molecular weight 296.19 g/mol. IUPAC: (3aR)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one.
Chemical Property Profile of Palonosetron, (3aR)-
Property Insights of Palonosetron, (3aR)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Palonosetron, (3aR)-. With a topological polar surface area (TPSA) of 23.6 Ų, Palonosetron, (3aR)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Palonosetron, (3aR)- has 0 hydrogen bond donor(s) and 2 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 Palonosetron, (3aR)-?
The CAS number of Palonosetron, (3aR)- is 119904-90-4.
What is the molecular formula of Palonosetron, (3aR)-?
The molecular formula of Palonosetron, (3aR)- is C19H24N2O.
What is the molecular weight of Palonosetron, (3aR)-?
The molecular weight of Palonosetron, (3aR)- is 296.19 g/mol.
Where can I buy Palonosetron, (3aR)-?
You can request a quote for Palonosetron, (3aR)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Palonosetron, (3aR)-?
Yes, KEHONG BIO provides custom synthesis services for Palonosetron, (3aR)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.