TL;DR: 9,10-Anthracenedione, 1-hydroxy-4-((4-(nonyloxy)phenyl)amino)- (CAS 71334-46-8) is a chemical compound with molecular formula C29H31NO4 and molecular weight 457.2253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hydroxy-4-(4-nonoxyanilino)anthracene-9,10-dione
Also Known As: 1-((4-Nonoxyphenyl)amino)-4-hydroxyanthraquinone, KST-1B8267, 1-hydroxy-4-[[4- phenyl]amino]anthraquinone, 9,10-Anthracenedione, 1-hydroxy-4-[[4-(nonyloxy)phenyl]amino]-, 9,10-Anthracenedione, 1-hydroxy-4-((4-(nonyloxy)phenyl)amino)-
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C29H31NO4 |
| Molecular Weight | 457.2253 g/mol |
| XLogP | 9.1 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 457.2253 Da |
| Heavy Atoms | 34 |
| Complexity | 659.0 |
| SMILES | CCCCCCCCCOC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O |
| InChIKey | LDBLFGUVYMSWJD-UHFFFAOYSA-N |
The XLogP value of 9.1 indicates that 9,10-Anthracenedione, 1-hydroxy-4-((4-(nonyloxy)phenyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1-hydroxy-4-((4-(nonyloxy)phenyl)amino)-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1-hydroxy-4-((4-(nonyloxy)phenyl)amino)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9,10-Anthracenedione, 1-hydroxy-4-((4-(nonyloxy)phenyl)amino)- is 71334-46-8.
The molecular formula of 9,10-Anthracenedione, 1-hydroxy-4-((4-(nonyloxy)phenyl)amino)- is C29H31NO4.
The molecular weight of 9,10-Anthracenedione, 1-hydroxy-4-((4-(nonyloxy)phenyl)amino)- is 457.2253 g/mol.
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