TL;DR: (S)-quinacrine (CAS 139345-02-1) is a chemical compound with molecular formula C23H30ClN3O and molecular weight 399.20773 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
Also Known As: (S)-quinacrine, quinacrine, D-Atabrine, d-Atabrine dihydrochloride, Lopac-Q-3251
| Molecular Formula | C23H30ClN3O |
| Molecular Weight | 399.20773 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 399.20773 Da |
| Heavy Atoms | 28 |
| Complexity | 461.0 |
| SMILES | CCN(CC)CCC[C@H](C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC |
| InChIKey | GPKJTRJOBQGKQK-INIZCTEOSA-N |
The XLogP value of 6.0 indicates that (S)-quinacrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, (S)-quinacrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-quinacrine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (S)-quinacrine is 139345-02-1.
The molecular formula of (S)-quinacrine is C23H30ClN3O.
The molecular weight of (S)-quinacrine is 399.20773 g/mol.
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