Dofequidar (fumarate)
TL;DR: Dofequidar (fumarate) (CAS 158681-49-3) is a chemical compound with molecular formula C34H35N3O7 and molecular weight 597.2475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;1-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylethanone
Also Known As: Dofequidar fumarate, Dofequidar (fumarate), Dofequidar (sesquifumarate), 3593AH, MS 209
Technical Specifications
| Molecular Formula | C34H35N3O7 |
| Molecular Weight | 597.2475 g/mol |
| XLogP | 3.6626 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 597.2475 Da |
| Heavy Atoms | 44 |
| Complexity | 771.0 |
| SMILES | C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O |
| InChIKey | QIAVTDQTRFYXSD-WLHGVMLRSA-N |
Chemical Property Profile of Dofequidar (fumarate)
Property Insights of Dofequidar (fumarate)
The XLogP value of 3.6626 indicates that Dofequidar (fumarate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Dofequidar (fumarate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dofequidar (fumarate) has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dofequidar (fumarate)?
The CAS number of Dofequidar (fumarate) is 158681-49-3.
What is the molecular formula of Dofequidar (fumarate)?
The molecular formula of Dofequidar (fumarate) is C34H35N3O7.
What is the molecular weight of Dofequidar (fumarate)?
The molecular weight of Dofequidar (fumarate) is 597.2475 g/mol.
Where can I buy Dofequidar (fumarate)?
You can request a quote for Dofequidar (fumarate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dofequidar (fumarate)?
Yes, CoreyChem provides custom synthesis services for Dofequidar (fumarate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.