TL;DR: 9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy- (CAS 12217-79-7) is a chemical compound with molecular formula C14H9ClN2O4 and molecular weight 304.0251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,5-diamino-2-chloro-4,8-dihydroxyanthracene-9,10-dione
Also Known As: Disperse Blue 56, Latyl Blue BCN, Resolin Blue FBL, Samaron Blue FBL, C.I. Disperse Blue 56
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H9ClN2O4 |
| Molecular Weight | 304.0251 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.0251 Da |
| Heavy Atoms | 21 |
| Complexity | 474.0 |
| SMILES | C1=CC(=C2C(=C1N)C(=O)C3=C(C2=O)C(=C(C=C3O)Cl)N)O |
| InChIKey | SIRMWLMEYFPGAD-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy-. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy- 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, 1,5-diaminochloro-4,8-dihydroxy- is 12217-79-7.
The molecular formula of 9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy- is C14H9ClN2O4.
The molecular weight of 9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy- is 304.0251 g/mol.
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