Palonosetron
TL;DR: Palonosetron (CAS 1329499-39-9) is a chemical compound with molecular formula C19H22N2O and molecular weight 294.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5,6-dihydro-4H-benzo[de]isoquinolin-1-one
Also Known As: Palonosetron, Dehydro Palonosetron, Palonosetron racemic, Palonosetron Impurity 7, Palonosetron Impurity 56
| Molecular Formula | C19H22N2O |
|---|---|
| Molecular Weight | 294.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.17322 |
| Heavy Atoms | 22 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 1329499-39-9 |
|---|---|
| SMILES | C1CC2=C3C(=CN(C(=O)C3=CC=C2)[C@@H]4CN5CCC4CC5)C1 |
| InChIKey | DIDFYSQVOPVZQB-QGZVFWFLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Palonosetron (CAS 1329499-39-9), with molecular formula C19H22N2O and molecular weight 294.17 g/mol. IUPAC: 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5,6-dihydro-4H-benzo[de]isoquinolin-1-one.
Chemical Property Profile of Palonosetron
Property Insights of Palonosetron
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Palonosetron. With a topological polar surface area (TPSA) of 23.6 Ų, Palonosetron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Palonosetron 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?
The CAS number of Palonosetron is 1329499-39-9.
What is the molecular formula of Palonosetron?
The molecular formula of Palonosetron is C19H22N2O.
What is the molecular weight of Palonosetron?
The molecular weight of Palonosetron is 294.17 g/mol.
Where can I buy Palonosetron?
You can request a quote for Palonosetron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Palonosetron?
Yes, KEHONG BIO provides custom synthesis services for Palonosetron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.