TL;DR: (2E)-3-(3,4-Dimethoxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one (CAS 1403562-57-1) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(3,4-dimethoxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
Also Known As: (2E)-3-(3,4-Dimethoxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one, UPCMLD0ENAT5864141:001, BAS 00135967, (E)-3-(3,4-dimethoxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one, 3-(3,4-Dimethoxy-phenyl)-1-(5-methyl-furan-2-yl)-propenone
| Molecular Formula | C16H16O4 |
| Molecular Weight | 272.10486 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 48.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.10486 Da |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
| SMILES | CC1=CC=C(O1)C(=O)/C=C/C2=CC(=C(C=C2)OC)OC |
| InChIKey | SHJRAEDYHUSHHR-FNORWQNLSA-N |
The XLogP value of 3.4 indicates that (2E)-3-(3,4-Dimethoxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.7 Ų, (2E)-3-(3,4-Dimethoxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(3,4-Dimethoxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one 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 (2E)-3-(3,4-Dimethoxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one is 1403562-57-1.
The molecular formula of (2E)-3-(3,4-Dimethoxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one is C16H16O4.
The molecular weight of (2E)-3-(3,4-Dimethoxyphenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one is 272.10486 g/mol.
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