TL;DR: benzyl 2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate (CAS 637750-79-9) is a chemical compound with molecular formula C26H22O7 and molecular weight 446.13657 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
Also Known As: VU0510299-1, benzyl 2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate, F3139-1675, benzyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate, phenylmethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yloxy]acetate
| Molecular Formula | C26H22O7 |
| Molecular Weight | 446.13657 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.13657 Da |
| Heavy Atoms | 33 |
| Complexity | 711.0 |
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)OCC3=CC=CC=C3)OC4=CC=CC=C4OC |
| InChIKey | NBAURDJTOBHDMK-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that benzyl 2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate. Following Lipinski's Rule of Five, benzyl 2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate 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 benzyl 2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate is 637750-79-9.
The molecular formula of benzyl 2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate is C26H22O7.
The molecular weight of benzyl 2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate is 446.13657 g/mol.
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