TL;DR: 9,10-Anthracenedione, 1,5-bis[(4-ethylphenyl)amino]- (CAS 71334-59-3) is a chemical compound with molecular formula C30H26N2O2 and molecular weight 446.19943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,5-bis(4-ethylanilino)anthracene-9,10-dione
Also Known As: 1,5-Bis((4-ethylphenyl)amino)anthraquinone, KST-1B8953, 9,10-Anthracenedione, 1,5-bis[(4-ethylphenyl)amino]-, 1,5-bis(4-ethylanilino)anthracene-9,10-dione, 9,10-Anthracenedione, 1,5-bis((4-ethylphenyl)amino)-
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C30H26N2O2 |
| Molecular Weight | 446.19943 g/mol |
| XLogP | 8.6 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.19943 Da |
| Heavy Atoms | 34 |
| Complexity | 647.0 |
| SMILES | CCC1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=C(C=C5)CC |
| InChIKey | DHIHFWLVDSRFDG-UHFFFAOYSA-N |
The XLogP value of 8.6 indicates that 9,10-Anthracenedione, 1,5-bis[(4-ethylphenyl)amino]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 9,10-Anthracenedione, 1,5-bis[(4-ethylphenyl)amino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1,5-bis[(4-ethylphenyl)amino]- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9,10-Anthracenedione, 1,5-bis[(4-ethylphenyl)amino]- is 71334-59-3.
The molecular formula of 9,10-Anthracenedione, 1,5-bis[(4-ethylphenyl)amino]- is C30H26N2O2.
The molecular weight of 9,10-Anthracenedione, 1,5-bis[(4-ethylphenyl)amino]- is 446.19943 g/mol.
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