TL;DR: 8-Quinolinol, 5-iodo-4'-chloro-3'-hydroxy-2'-naphthoate (CAS 63716-62-1) is a chemical compound with molecular formula C20H13ClINO3 and molecular weight 476.96286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-8-(hydroxymethyl)-3-(5-iodoquinolin-8-yl)oxynaphthalen-2-ol
Also Known As: 8-Quinolinol, 5-iodo-4'-chloro-3'-hydroxy-2'-naphthoate, 1-chloro-8-(hydroxymethyl)-3-[(5-iodoquinolin-8-yl)oxy]naphthalen-2-ol, 5-Iodo-8-quinolinolium 4'-chloro-3'-hydroxy-2'-naphthoate, 4-Chloro-3-hydroxy-2-naphthoic acid 5-iodo-8-quinolyl ester, 1-chloro-8-(hydroxymethyl)-3-(5-iodoquinolin-8-yl)oxynaphthalen-2-ol
| Molecular Formula | C20H13ClINO3 |
| Molecular Weight | 476.96286 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.96286 Da |
| Heavy Atoms | 26 |
| Complexity | 484.0 |
| SMILES | C1=CC2=CC(=C(C(=C2C(=C1)CO)Cl)O)OC3=C4C(=C(C=C3)I)C=CC=N4 |
| InChIKey | BQNJDGBQHMXFLP-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 8-Quinolinol, 5-iodo-4'-chloro-3'-hydroxy-2'-naphthoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Quinolinol, 5-iodo-4'-chloro-3'-hydroxy-2'-naphthoate. Following Lipinski's Rule of Five, 8-Quinolinol, 5-iodo-4'-chloro-3'-hydroxy-2'-naphthoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 8-Quinolinol, 5-iodo-4'-chloro-3'-hydroxy-2'-naphthoate is 63716-62-1.
The molecular formula of 8-Quinolinol, 5-iodo-4'-chloro-3'-hydroxy-2'-naphthoate is C20H13ClINO3.
The molecular weight of 8-Quinolinol, 5-iodo-4'-chloro-3'-hydroxy-2'-naphthoate is 476.96286 g/mol.
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