TL;DR: 1,4-Bis(2,6-diethylanilino)anthracene-9,10-dione (CAS 20241-74-1) is a chemical compound with molecular formula C34H34N2O2 and molecular weight 502.26202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-bis(2,6-diethylanilino)anthracene-9,10-dione
Also Known As: n-Hexyl-delta-8-thc, 1,4-Bis((2,6-diethylphenyl)amino)anthraquinone, KST-1B1564, 1,4-bis(2,6-diethylanilino)anthracene-9,10-dione, n-Hexyl-delta-8-tetrahydrocannabinol
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C34H34N2O2 |
| Molecular Weight | 502.26202 g/mol |
| XLogP | 10.2 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.26202 Da |
| Heavy Atoms | 38 |
| Complexity | 722.0 |
| SMILES | CCC1=C(C(=CC=C1)CC)NC2=C3C(=C(C=C2)NC4=C(C=CC=C4CC)CC)C(=O)C5=CC=CC=C5C3=O |
| InChIKey | YDWOAJFKMUQBOU-UHFFFAOYSA-N |
The XLogP value of 10.2 indicates that 1,4-Bis(2,6-diethylanilino)anthracene-9,10-dione 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(2,6-diethylanilino)anthracene-9,10-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(2,6-diethylanilino)anthracene-9,10-dione 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(2,6-diethylanilino)anthracene-9,10-dione is 20241-74-1.
The molecular formula of 1,4-Bis(2,6-diethylanilino)anthracene-9,10-dione is C34H34N2O2.
The molecular weight of 1,4-Bis(2,6-diethylanilino)anthracene-9,10-dione is 502.26202 g/mol.
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