TL;DR: 3-[(3,4-Dimethoxyphenyl)methylidene]-6-methoxychromen-4-one (CAS 130688-89-0) is a chemical compound with molecular formula C19H18O5 and molecular weight 326.11542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxychromen-4-one
Also Known As: 4H-1-Benzopyran-4-one,3-[(3,4-dimethoxyphenyl)methylene]-2,3-dihydro-6-methoxy-, (E)- (9CI), (E)-2,3-Dihydro-3-((3,4-dimethoxyphenyl)methylene)-6-methoxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-3-((3,4-dimethoxyphenyl)methylene)-6-methoxy-, (E)-
| Molecular Formula | C19H18O5 |
| Molecular Weight | 326.11542 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.11542 Da |
| Heavy Atoms | 24 |
| Complexity | 474.0 |
| SMILES | COC1=CC2=C(C=C1)OCC(=CC3=CC(=C(C=C3)OC)OC)C2=O |
| InChIKey | LKNQAOXZCFPRFA-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 3-[(3,4-Dimethoxyphenyl)methylidene]-6-methoxychromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 3-[(3,4-Dimethoxyphenyl)methylidene]-6-methoxychromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3,4-Dimethoxyphenyl)methylidene]-6-methoxychromen-4-one 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 3-[(3,4-Dimethoxyphenyl)methylidene]-6-methoxychromen-4-one is 130688-89-0.
The molecular formula of 3-[(3,4-Dimethoxyphenyl)methylidene]-6-methoxychromen-4-one is C19H18O5.
The molecular weight of 3-[(3,4-Dimethoxyphenyl)methylidene]-6-methoxychromen-4-one is 326.11542 g/mol.
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