TL;DR: 1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione (CAS 14233-37-5) is a chemical compound with molecular formula C20H22N2O2 and molecular weight 322.16812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-bis(propan-2-ylamino)anthracene-9,10-dione
Also Known As: Solvent Blue 36, Unisol Blue AS, Duranol Blue PP, Waxoline Blue AP, Oil Blue A
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H22N2O2 |
| Molecular Weight | 322.16812 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.16812 Da |
| Heavy Atoms | 24 |
| Complexity | 444.0 |
| SMILES | CC(C)NC1=C2C(=C(C=C1)NC(C)C)C(=O)C3=CC=CC=C3C2=O |
| InChIKey | BLFZMXOCPASACY-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione is 14233-37-5.
The molecular formula of 1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione is C20H22N2O2.
The molecular weight of 1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione is 322.16812 g/mol.
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