TL;DR: 4,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2,6-anthracenedisulfonic acid (CAS 128-86-9) is a chemical compound with molecular formula C14H10N2O10S2 and molecular weight 429.9777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonic acid
Also Known As: Solvent Blue 74, acidformofacidblue45, C.I. Acid Blue 45, Alizarin brilliant blue BS, C.I.Solvent Blue 74
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H10N2O10S2 |
| Molecular Weight | 429.9777 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 252.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 2 |
| Exact Mass | 429.9777 Da |
| Heavy Atoms | 28 |
| Complexity | 818.0 |
| SMILES | C1=C(C2=C(C(=C1S(=O)(=O)O)O)C(=O)C3=C(C2=O)C(=C(C=C3N)S(=O)(=O)O)O)N |
| InChIKey | MVWQCFNJWMLYDF-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that 4,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2,6-anthracenedisulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 252.0 Ų indicates high polarity, suggesting 4,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2,6-anthracenedisulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2,6-anthracenedisulfonic acid has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2,6-anthracenedisulfonic acid is 128-86-9.
The molecular formula of 4,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2,6-anthracenedisulfonic acid is C14H10N2O10S2.
The molecular weight of 4,8-Diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-2,6-anthracenedisulfonic acid is 429.9777 g/mol.
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