TL;DR: propan-2-yl {[(2Z)-2-(biphenyl-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate (CAS 622806-80-8) is a chemical compound with molecular formula C26H22O5 and molecular weight 414.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-[[(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetate
Also Known As: propan-2-yl {[(2Z)-2-(biphenyl-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate, methylethyl 2-{3-oxo-2-[(4-phenylphenyl)methylene]benzo[3,4-b]furan-6-yloxy}ac etate, propan-2-yl 2-[[(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetate, (Z)-isopropyl 2-((2-([1,1'-biphenyl]-4-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetate
| Molecular Formula | C26H22O5 |
| Molecular Weight | 414.14673 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.14673 Da |
| Heavy Atoms | 31 |
| Complexity | 655.0 |
| SMILES | CC(C)OC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(C=C3)C4=CC=CC=C4)/O2 |
| InChIKey | YHTORQHCISDUIE-OYKKKHCWSA-N |
The XLogP value of 5.9 indicates that propan-2-yl {[(2Z)-2-(biphenyl-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl {[(2Z)-2-(biphenyl-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate. Following Lipinski's Rule of Five, propan-2-yl {[(2Z)-2-(biphenyl-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of propan-2-yl {[(2Z)-2-(biphenyl-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate is 622806-80-8.
The molecular formula of propan-2-yl {[(2Z)-2-(biphenyl-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate is C26H22O5.
The molecular weight of propan-2-yl {[(2Z)-2-(biphenyl-4-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetate is 414.14673 g/mol.
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