TL;DR: 2-(4-Bromophenyl)-5,7-dihydroxy-4H-chromen-4-one (CAS 152969-70-5) is a chemical compound with molecular formula C15H9BrO4 and molecular weight 331.9684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromophenyl)-5,7-dihydroxychromen-4-one
Also Known As: 2-(4-Bromophenyl)-5,7-dihydroxy-4H-chromen-4-one, 5,7-Dihydroxy-4 -bromoflavone, 2-(4-bromophenyl)-5,7-dihydroxychromen-4-one, J1.351.760F, 2-(4-bromophenyl)-5,7-dihydroxy-chromen-4-one
| Molecular Formula | C15H9BrO4 |
| Molecular Weight | 331.9684 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.9684 Da |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
| SMILES | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)Br |
| InChIKey | WZIDCTPTSYWUCA-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromophenyl)-5,7-dihydroxy-4H-chromen-4-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-5,7-dihydroxy-4H-chromen-4-one. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-5,7-dihydroxy-4H-chromen-4-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(4-Bromophenyl)-5,7-dihydroxy-4H-chromen-4-one is 152969-70-5.
The molecular formula of 2-(4-Bromophenyl)-5,7-dihydroxy-4H-chromen-4-one is C15H9BrO4.
The molecular weight of 2-(4-Bromophenyl)-5,7-dihydroxy-4H-chromen-4-one is 331.9684 g/mol.
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