TL;DR: Pocapavir (CAS 146949-21-5) is a chemical compound with molecular formula C21H17Cl3O3 and molecular weight 422.02432 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dichloro-2-[[4-[(2-chloro-4-methoxyphenoxy)methyl]phenyl]methoxy]benzene
Also Known As: Pocapavir, pocapavirum, Pocapavir [INN], Pocapavir?, v-073
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H17Cl3O3 |
| Molecular Weight | 422.02432 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.02432 Da |
| Heavy Atoms | 27 |
| Complexity | 421.0 |
| SMILES | COC1=CC(=C(C=C1)OCC2=CC=C(C=C2)COC3=C(C=CC=C3Cl)Cl)Cl |
| InChIKey | XXMDDBVNWRWNCW-UHFFFAOYSA-N |
The XLogP value of 6.7 indicates that Pocapavir is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Pocapavir exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pocapavir has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pocapavir is 146949-21-5.
The molecular formula of Pocapavir is C21H17Cl3O3.
The molecular weight of Pocapavir is 422.02432 g/mol.
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