TL;DR: 9,10-Anthracenedione, 1,5-bis[[4-(1-methylethyl)phenyl]amino]- (CAS 71335-92-7) is a chemical compound with molecular formula C32H30N2O2 and molecular weight 474.23074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,5-bis(4-propan-2-ylanilino)anthracene-9,10-dione
Also Known As: Ergosinine methanesulfonate, Ergosinine monomethanesulfonate, KST-1B8270, 1,5-bis[[4- phenyl]amino]anthraquinone, 1,5-Bis((4-(1-methylethyl)phenyl)amino)anthraquinone
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C32H30N2O2 |
| Molecular Weight | 474.23074 g/mol |
| XLogP | 9.3 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.23074 Da |
| Heavy Atoms | 36 |
| Complexity | 698.0 |
| SMILES | CC(C)C1=CC=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=C(C=C5)C(C)C |
| InChIKey | XMZQPOLSQHYOOW-UHFFFAOYSA-N |
The XLogP value of 9.3 indicates that 9,10-Anthracenedione, 1,5-bis[[4-(1-methylethyl)phenyl]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-(1-methylethyl)phenyl]amino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1,5-bis[[4-(1-methylethyl)phenyl]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-(1-methylethyl)phenyl]amino]- is 71335-92-7.
The molecular formula of 9,10-Anthracenedione, 1,5-bis[[4-(1-methylethyl)phenyl]amino]- is C32H30N2O2.
The molecular weight of 9,10-Anthracenedione, 1,5-bis[[4-(1-methylethyl)phenyl]amino]- is 474.23074 g/mol.
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