TL;DR: Rociclovir (CAS 108436-80-2) is a chemical compound with molecular formula C15H25N5O3 and molecular weight 323.19574 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]purin-2-amine
Also Known As: Rociclovir, Rociclovirum, Rociclovir [INN], Rociclovirum [INN-Latin], Hoe 602
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H25N5O3 |
| Molecular Weight | 323.19574 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 323.19574 Da |
| Heavy Atoms | 23 |
| Complexity | 333.0 |
| SMILES | CC(C)OCC(COC(C)C)OCN1C=NC2=CN=C(N=C21)N |
| InChIKey | FBHWXSOQXQBXER-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rociclovir. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Rociclovir. Following Lipinski's Rule of Five, Rociclovir has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Rociclovir is 108436-80-2.
The molecular formula of Rociclovir is C15H25N5O3.
The molecular weight of Rociclovir is 323.19574 g/mol.
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