TL;DR: 9,10-Anthracenedione, 1,5-bis((4-(pentyloxy)phenyl)amino)- (CAS 71334-64-0) is a chemical compound with molecular formula C36H38N2O4 and molecular weight 562.28314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,5-bis(4-pentoxyanilino)anthracene-9,10-dione
Also Known As: 1,5-Bis((4-pentoxyphenyl)amino)anthraquinone, 9,10-Anthracenedione, 1,5-bis[[4-(pentyloxy)phenyl]amino]-, KST-1B8269, 1,5-bis(4-pentoxyanilino)anthracene-9,10-dione, 1,5-bis[[4- phenyl]amino]anthraquinone
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C36H38N2O4 |
| Molecular Weight | 562.28314 g/mol |
| XLogP | 10.6 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 562.28314 Da |
| Heavy Atoms | 42 |
| Complexity | 766.0 |
| SMILES | CCCCCOC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=C(C=C5)OCCCCC |
| InChIKey | LZAWOWSBLQZKOH-UHFFFAOYSA-N |
The XLogP value of 10.6 indicates that 9,10-Anthracenedione, 1,5-bis((4-(pentyloxy)phenyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1,5-bis((4-(pentyloxy)phenyl)amino)-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1,5-bis((4-(pentyloxy)phenyl)amino)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9,10-Anthracenedione, 1,5-bis((4-(pentyloxy)phenyl)amino)- is 71334-64-0.
The molecular formula of 9,10-Anthracenedione, 1,5-bis((4-(pentyloxy)phenyl)amino)- is C36H38N2O4.
The molecular weight of 9,10-Anthracenedione, 1,5-bis((4-(pentyloxy)phenyl)amino)- is 562.28314 g/mol.
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