TL;DR: Dibutyltin 3-hydroxyflavone (CAS 146816-94-6) is a chemical compound with molecular formula C23H27BrO3Sn and molecular weight 550.01654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butane;4-oxo-2-phenylchromen-3-olate;tin(4+);bromide
Also Known As: Dibutyltin 3-hydroxyflavone, Dibutyltin oxylaurate, Bu2Sn(of), Dibutyltin-3-hydroxyflavone bromide, butane;4-oxo-2-phenylchromen-3-olate;tin(4+);bromide
| Molecular Formula | C23H27BrO3Sn |
| Molecular Weight | 550.01654 g/mol |
| XLogP | 2.39798 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 550.01654 Da |
| Heavy Atoms | 28 |
| Complexity | 370.0 |
| SMILES | CCC[CH2-].CCC[CH2-].C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)[O-].[Br-].[Sn+4] |
| InChIKey | RDXLRZAKDAWZAR-UHFFFAOYSA-L |
The XLogP value of 2.39798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutyltin 3-hydroxyflavone. With a topological polar surface area (TPSA) of 49.4 Ų, Dibutyltin 3-hydroxyflavone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyltin 3-hydroxyflavone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dibutyltin 3-hydroxyflavone is 146816-94-6.
The molecular formula of Dibutyltin 3-hydroxyflavone is C23H27BrO3Sn.
The molecular weight of Dibutyltin 3-hydroxyflavone is 550.01654 g/mol.
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