TL;DR: 8-Quinolinol, 4,5'-dichloro-3'-hydroxy-2'-naphthoate (CAS 63716-61-0) is a chemical compound with molecular formula C20H13Cl2NO3 and molecular weight 385.02725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-chloro-3-(3-chloroquinolin-8-yl)oxy-6-(hydroxymethyl)naphthalen-2-ol
Also Known As: 3,4-METHYLENEDIOXYCHALCONE, 8-chloro-3-[(3-chloroquinolin-8-yl)oxy]-6-(hydroxymethyl)naphthalen-2-ol, 8-Quinolinol, 4,5'-dichloro-3'-hydroxy-2'-naphthoate, 5-Chloro-8-quinolium 4'-chloro-3'-hydroxy-2'-naphthoate, 8-chloro-3-(3-chloroquinolin-8-yl)oxy-6-(hydroxymethyl)naphthalen-2-ol
| Molecular Formula | C20H13Cl2NO3 |
| Molecular Weight | 385.02725 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 | 385.02725 Da |
| Heavy Atoms | 26 |
| Complexity | 482.0 |
| SMILES | C1=CC2=CC(=CN=C2C(=C1)OC3=C(C=C4C(=C3)C=C(C=C4Cl)CO)O)Cl |
| InChIKey | JLLPFTPHTNXAHD-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 8-Quinolinol, 4,5'-dichloro-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, 4,5'-dichloro-3'-hydroxy-2'-naphthoate. Following Lipinski's Rule of Five, 8-Quinolinol, 4,5'-dichloro-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, 4,5'-dichloro-3'-hydroxy-2'-naphthoate is 63716-61-0.
The molecular formula of 8-Quinolinol, 4,5'-dichloro-3'-hydroxy-2'-naphthoate is C20H13Cl2NO3.
The molecular weight of 8-Quinolinol, 4,5'-dichloro-3'-hydroxy-2'-naphthoate is 385.02725 g/mol.
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