TL;DR: Adefovir Dipivoxil (CAS 142340-99-6) is a chemical compound with molecular formula C20H32N5O8P and molecular weight 501.19885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
Also Known As: ADEFOVIR DIPIVOXIL, Hepsera, Preveon, Adefovir pivoxil, Adefovirdipivoxl
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H32N5O8P |
| Molecular Weight | 501.19885 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 501.19885 Da |
| Heavy Atoms | 34 |
| Complexity | 705.0 |
| Solubility | 19 |
| SMILES | CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)C |
| InChIKey | WOZSCQDILHKSGG-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adefovir Dipivoxil. The TPSA of 167.0 Ų indicates high polarity, suggesting Adefovir Dipivoxil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adefovir Dipivoxil has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Adefovir Dipivoxil is 142340-99-6.
The molecular formula of Adefovir Dipivoxil is C20H32N5O8P.
The molecular weight of Adefovir Dipivoxil is 501.19885 g/mol.
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