TL;DR: 9,10-Anthracenedione, 1,4,5,8-tetraamino-ar,ar-dibromo- (CAS 68214-42-6) is a chemical compound with molecular formula C14H10Br2N4O2 and molecular weight 423.91705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4,5,8-tetraamino-2,3-dibromoanthracene-9,10-dione
Also Known As: Bleomycin bapp, KST-1B7561, 1,4,5,8-Tetraamino-ar,ar'-dibromoanthraquinone, 9,10-Anthracenedione, 1,4,5,8-tetraamino-ar,ar-dibromo-, 1,4,5,8-tetraamino-2,3-dibromoanthracene-9,10-dione
| Molecular Formula | C14H10Br2N4O2 |
| Molecular Weight | 423.91705 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 425.915 Da |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
| SMILES | C1=CC(=C2C(=C1N)C(=O)C3=C(C2=O)C(=C(C(=C3N)Br)Br)N)N |
| InChIKey | UPFBCANRFNSDKE-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Anthracenedione, 1,4,5,8-tetraamino-ar,ar-dibromo-. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1,4,5,8-tetraamino-ar,ar-dibromo-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1,4,5,8-tetraamino-ar,ar-dibromo- has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9,10-Anthracenedione, 1,4,5,8-tetraamino-ar,ar-dibromo- is 68214-42-6.
The molecular formula of 9,10-Anthracenedione, 1,4,5,8-tetraamino-ar,ar-dibromo- is C14H10Br2N4O2.
The molecular weight of 9,10-Anthracenedione, 1,4,5,8-tetraamino-ar,ar-dibromo- is 423.91705 g/mol.
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