TL;DR: (Z)-2-((E)-3-(2-methoxyphenyl)allylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cyclopropanecarboxylate (CAS 622800-11-7) is a chemical compound with molecular formula C22H18O5 and molecular weight 362.11542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl] cyclopropanecarboxylate
Also Known As: (Z)-2-((E)-3-(2-methoxyphenyl)allylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cyclopropanecarboxylate, (2Z)-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclopropanecarboxylate, F3385-0396, [(2Z)-2-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxo-1-benzofuran-6-yl] cyclopropanecarboxylate, 2-[(2E)-3-(2-methoxyphenyl)prop-2-enylidene]-3-oxobenzo[3,4-b]furan-6-yl cyclo propanecarboxylate
| Molecular Formula | C22H18O5 |
| Molecular Weight | 362.11542 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.11542 Da |
| Heavy Atoms | 27 |
| Complexity | 633.0 |
| SMILES | COC1=CC=CC=C1/C=C/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4CC4 |
| InChIKey | NUKVOOSSYBSPPX-AGASNCOBSA-N |
The XLogP value of 4.4 indicates that (Z)-2-((E)-3-(2-methoxyphenyl)allylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cyclopropanecarboxylate 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 (Z)-2-((E)-3-(2-methoxyphenyl)allylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cyclopropanecarboxylate. Following Lipinski's Rule of Five, (Z)-2-((E)-3-(2-methoxyphenyl)allylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cyclopropanecarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-2-((E)-3-(2-methoxyphenyl)allylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cyclopropanecarboxylate is 622800-11-7.
The molecular formula of (Z)-2-((E)-3-(2-methoxyphenyl)allylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cyclopropanecarboxylate is C22H18O5.
The molecular weight of (Z)-2-((E)-3-(2-methoxyphenyl)allylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl cyclopropanecarboxylate is 362.11542 g/mol.
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