TL;DR: (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate (CAS 1164522-53-5) is a chemical compound with molecular formula C23H17NO6 and molecular weight 403.1056 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 2,6-dimethoxybenzoate
Also Known As: (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate, VU0273080-2, [(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-yl] 2,6-dimethoxybenzoate, F3385-0572, (2Z)-3-oxo-2-[(pyridin-4-yl)methylidene]-2,3-dihydro-1-benzofuran-6-yl 2,6-dimethoxybenzoate
| Molecular Formula | C23H17NO6 |
| Molecular Weight | 403.1056 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.1056 Da |
| Heavy Atoms | 30 |
| Complexity | 646.0 |
| SMILES | COC1=C(C(=CC=C1)OC)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=NC=C4)/O3 |
| InChIKey | LVEIEJFYLXHREB-NDENLUEZSA-N |
The XLogP value of 3.9 indicates that (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate. Following Lipinski's Rule of Five, (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate is 1164522-53-5.
The molecular formula of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate is C23H17NO6.
The molecular weight of (Z)-3-oxo-2-(pyridin-4-ylmethylene)-2,3-dihydrobenzofuran-6-yl 2,6-dimethoxybenzoate is 403.1056 g/mol.
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