TL;DR: (E)-1-(4-bromophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one (CAS 1164452-82-7) is a chemical compound with molecular formula C19H12BrNO4 and molecular weight 396.99496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(4-bromophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one
Also Known As: AB00101593-01, (E)-1-(4-bromophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one, 1-(4-bromophenyl)-3-[5-(2-nitrophenyl)-2-furyl]-2-propen-1-one, (2E)-1-(4-bromophenyl)-3-[5-(2-nitrophenyl)(2-furyl)]prop-2-en-1-one, (2E)-1-(4-bromophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one
| Molecular Formula | C19H12BrNO4 |
| Molecular Weight | 396.99496 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.99496 Da |
| Heavy Atoms | 25 |
| Complexity | 510.0 |
| SMILES | C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-] |
| InChIKey | BGGLJVFXLGXRQN-PKNBQFBNSA-N |
The XLogP value of 5.0 indicates that (E)-1-(4-bromophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(4-bromophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-1-(4-bromophenyl)-3-[5-(2-nitrophenyl)furan-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 (E)-1-(4-bromophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one is 1164452-82-7.
The molecular formula of (E)-1-(4-bromophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one is C19H12BrNO4.
The molecular weight of (E)-1-(4-bromophenyl)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-en-1-one is 396.99496 g/mol.
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