TL;DR: 2H-1-Benzopyran-2-one, 7-methoxy-4-(4-(oxiranylmethoxy)phenyl)-3-phenyl- (CAS 111038-36-9) is a chemical compound with molecular formula C25H20O5 and molecular weight 400.13107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methoxy-4-[4-(oxiran-2-ylmethoxy)phenyl]-3-phenylchromen-2-one
Also Known As: 7-Methoxy-4-(4-(oxiranylmethoxy)phenyl)-3-phenyl-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 7-methoxy-4-(4-(oxiranylmethoxy)phenyl)-3-phenyl-, 7-methoxy-4-[4-(oxiran-2-ylmethoxy)phenyl]-3-phenylchromen-2-one, 7-Methoxy-4-{4-[(oxiran-2-yl)methoxy]phenyl}-3-phenyl-2H-1-benzopyran-2-one
| Molecular Formula | C25H20O5 |
| Molecular Weight | 400.13107 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 57.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.13107 Da |
| Heavy Atoms | 30 |
| Complexity | 644.0 |
| SMILES | COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=CC=C3)C4=CC=C(C=C4)OCC5CO5 |
| InChIKey | QIONRNLJAKNSBO-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 2H-1-Benzopyran-2-one, 7-methoxy-4-(4-(oxiranylmethoxy)phenyl)-3-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.3 Ų, 2H-1-Benzopyran-2-one, 7-methoxy-4-(4-(oxiranylmethoxy)phenyl)-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 7-methoxy-4-(4-(oxiranylmethoxy)phenyl)-3-phenyl- 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 2H-1-Benzopyran-2-one, 7-methoxy-4-(4-(oxiranylmethoxy)phenyl)-3-phenyl- is 111038-36-9.
The molecular formula of 2H-1-Benzopyran-2-one, 7-methoxy-4-(4-(oxiranylmethoxy)phenyl)-3-phenyl- is C25H20O5.
The molecular weight of 2H-1-Benzopyran-2-one, 7-methoxy-4-(4-(oxiranylmethoxy)phenyl)-3-phenyl- is 400.13107 g/mol.
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