TL;DR: 1,4-Bis(4-methoxyphenyl)-1,4-butanedione (CAS 15982-64-6) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-bis(4-methoxyphenyl)butane-1,4-dione
Also Known As: 1,4-bis(4-methoxyphenyl)butane-1,4-dione, 1,4-Bis(4-methoxyphenyl)-1,4-butanedione, 1,4-Butanedione, 1,4-bis(4-methoxyphenyl)-, 1,4-Bis(4-methoxyphenyl)-1,4-butanedione #, H83859
| Molecular Formula | C18H18O4 |
| Molecular Weight | 298.1205 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.1205 Da |
| Heavy Atoms | 22 |
| Complexity | 327.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=C(C=C2)OC |
| InChIKey | FOLNMXLKUHNRFV-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Bis(4-methoxyphenyl)-1,4-butanedione. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Bis(4-methoxyphenyl)-1,4-butanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(4-methoxyphenyl)-1,4-butanedione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4-Bis(4-methoxyphenyl)-1,4-butanedione is 15982-64-6.
The molecular formula of 1,4-Bis(4-methoxyphenyl)-1,4-butanedione is C18H18O4.
The molecular weight of 1,4-Bis(4-methoxyphenyl)-1,4-butanedione is 298.1205 g/mol.
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