Dofequidar
TL;DR: Dofequidar (CAS 153653-33-9) is a chemical compound with molecular formula C30H31N3O3 and molecular weight 481.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylethanone
Also Known As: Dofequidar, Dofequidar [INN], dofequidarum, Dofequidar fumarate, Dofequidar (R)-isomer
| Molecular Formula | C30H31N3O3 |
|---|---|
| Molecular Weight | 481.24 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 65.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.23654 |
| Heavy Atoms | 36 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 153653-33-9 |
|---|---|
| SMILES | C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | KLWUUPVJTLHYIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dofequidar (CAS 153653-33-9), with molecular formula C30H31N3O3 and molecular weight 481.24 g/mol. IUPAC: 1-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylethanone.
Chemical Property Profile of Dofequidar
Property Insights of Dofequidar
The XLogP value of 4.1 indicates that Dofequidar is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dofequidar. Following Lipinski's Rule of Five, Dofequidar has 1 hydrogen bond donor(s) and 5 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 Dofequidar?
The CAS number of Dofequidar is 153653-33-9.
What is the molecular formula of Dofequidar?
The molecular formula of Dofequidar is C30H31N3O3.
What is the molecular weight of Dofequidar?
The molecular weight of Dofequidar is 481.24 g/mol.
Where can I buy Dofequidar?
You can request a quote for Dofequidar directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dofequidar?
Yes, KEHONG BIO provides custom synthesis services for Dofequidar and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.