TL;DR: Ethyl 4-[7-[(4-fluorophenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate (CAS 1251742-94-5) is a chemical compound with molecular formula C25H19FO6 and molecular weight 434.11658 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[7-[(4-fluorophenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
Also Known As: DCV6T-Bu(1,2,5,6), F3139-1751, ethyl 4-[7-[(4-fluorophenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate, ethyl 4-{7-[(4-fluorophenyl)methoxy]-4-oxochromen-3-yloxy}benzoate, ethyl 4-((7-((4-fluorobenzyl)oxy)-4-oxo-4H-chromen-3-yl)oxy)benzoate
| Molecular Formula | C25H19FO6 |
| Molecular Weight | 434.11658 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.11658 Da |
| Heavy Atoms | 32 |
| Complexity | 678.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC4=CC=C(C=C4)F |
| InChIKey | FVWVKLZCHYWWGB-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that Ethyl 4-[7-[(4-fluorophenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[7-[(4-fluorophenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate. Following Lipinski's Rule of Five, Ethyl 4-[7-[(4-fluorophenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ethyl 4-[7-[(4-fluorophenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate is 1251742-94-5.
The molecular formula of Ethyl 4-[7-[(4-fluorophenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate is C25H19FO6.
The molecular weight of Ethyl 4-[7-[(4-fluorophenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate is 434.11658 g/mol.
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