TL;DR: Dobupride (CAS 106707-51-1) is a chemical compound with molecular formula C20H30ClN3O4 and molecular weight 411.19247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-2-butoxy-5-chloro-N-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]benzamide
Also Known As: Dobupride, Dobuprida, Dobupridum, Dobupride [INN], Dobupridum [Latin]
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H30ClN3O4 |
| Molecular Weight | 411.19247 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.19247 Da |
| Heavy Atoms | 28 |
| Complexity | 484.0 |
| SMILES | CCCCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3OCCO3)Cl)N |
| InChIKey | BTBFXLRQGPHRGT-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dobupride. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dobupride. Following Lipinski's Rule of Five, Dobupride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dobupride is 106707-51-1.
The molecular formula of Dobupride is C20H30ClN3O4.
The molecular weight of Dobupride is 411.19247 g/mol.
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