TL;DR: 6-Hydroxy-4',5,7-triaminoflavone (CAS 158555-33-0) is a chemical compound with molecular formula C15H16Cl3N3O3 and molecular weight 391.02573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,7-diamino-2-(4-aminophenyl)-6-hydroxychromen-4-one;trihydrochloride
Also Known As: 6-Hydroxy-4',5,7-triaminoflavone, 5,7-Diamino-2-(4-aminophenyl)-6-hydroxy-4H-1-benzopyran-4-one trihydrochloride, 5,7-diamino-2-(4-aminophenyl)-6-hydroxychromen-4-one;trihydrochloride, 5,7-Diamino-2-(4-aminophenyl)-6-hydroxy-4H-chromen-4-one trihydrochloride, 5,7-diamino-2-(4-aminophenyl)-6-hydroxychromen-4-one trihydrochloride
| Molecular Formula | C15H16Cl3N3O3 |
| Molecular Weight | 391.02573 g/mol |
| XLogP | 3.1776 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 391.02573 Da |
| Heavy Atoms | 24 |
| Complexity | 445.0 |
| SMILES | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3N)O)N)N.Cl.Cl.Cl |
| InChIKey | KBBXNMRXNAXGIR-UHFFFAOYSA-N |
The XLogP value of 3.1776 indicates that 6-Hydroxy-4',5,7-triaminoflavone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Hydroxy-4',5,7-triaminoflavone. Following Lipinski's Rule of Five, 6-Hydroxy-4',5,7-triaminoflavone has 7 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-Hydroxy-4',5,7-triaminoflavone is 158555-33-0.
The molecular formula of 6-Hydroxy-4',5,7-triaminoflavone is C15H16Cl3N3O3.
The molecular weight of 6-Hydroxy-4',5,7-triaminoflavone is 391.02573 g/mol.
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