TL;DR: 9,10-Anthracenedione, 1,1'-iminobis(4-nitro- (CAS 128-88-1) is a chemical compound with molecular formula C28H13N3O8 and molecular weight 519.07025 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitro-4-[(4-nitro-9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
Also Known As: EINECS 204-915-8, 1,1'-Iminobis(4-nitroanthraquinone), 9,10-Anthracenedione, 1,1'-iminobis[4-nitro-, 9,10-Anthracenedione, 1,1'-iminobis(4-nitro-, 4,4'-dinitro-1,1'-imino-di-anthraquinone
| Molecular Formula | C28H13N3O8 |
| Molecular Weight | 519.07025 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 172.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 519.07025 Da |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)[N+](=O)[O-])NC4=C5C(=C(C=C4)[N+](=O)[O-])C(=O)C6=CC=CC=C6C5=O |
| InChIKey | NCGPNEIWMXIRRC-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 9,10-Anthracenedione, 1,1'-iminobis(4-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.0 Ų indicates high polarity, suggesting 9,10-Anthracenedione, 1,1'-iminobis(4-nitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1,1'-iminobis(4-nitro- has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9,10-Anthracenedione, 1,1'-iminobis(4-nitro- is 128-88-1.
The molecular formula of 9,10-Anthracenedione, 1,1'-iminobis(4-nitro- is C28H13N3O8.
The molecular weight of 9,10-Anthracenedione, 1,1'-iminobis(4-nitro- is 519.07025 g/mol.
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