TL;DR: (E)-3-(5-(4-nitrophenyl)furan-2-yl)-1-(piperidin-1-yl)prop-2-en-1-one (CAS 303775-11-3) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[5-(4-nitrophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one
Also Known As: BAS 00157348, (E)-3-(5-(4-nitrophenyl)furan-2-yl)-1-(piperidin-1-yl)prop-2-en-1-one, AB00686129-01, (2E)-3-[5-(4-nitrophenyl)furan-2-yl]-1-(piperidin-1-yl)prop-2-en-1-one, (E)-3-[5-(4-nitrophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one
| Molecular Formula | C18H18N2O4 |
| Molecular Weight | 326.12665 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.12665 Da |
| Heavy Atoms | 24 |
| Complexity | 474.0 |
| SMILES | C1CCN(CC1)C(=O)/C=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | CTPTXPKQTAZEBV-PKNBQFBNSA-N |
The XLogP value of 3.2 indicates that (E)-3-(5-(4-nitrophenyl)furan-2-yl)-1-(piperidin-1-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(5-(4-nitrophenyl)furan-2-yl)-1-(piperidin-1-yl)prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-3-(5-(4-nitrophenyl)furan-2-yl)-1-(piperidin-1-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 (E)-3-(5-(4-nitrophenyl)furan-2-yl)-1-(piperidin-1-yl)prop-2-en-1-one is 303775-11-3.
The molecular formula of (E)-3-(5-(4-nitrophenyl)furan-2-yl)-1-(piperidin-1-yl)prop-2-en-1-one is C18H18N2O4.
The molecular weight of (E)-3-(5-(4-nitrophenyl)furan-2-yl)-1-(piperidin-1-yl)prop-2-en-1-one is 326.12665 g/mol.
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