TL;DR: 4-[3-(5-Methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one (CAS 147723-40-8) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.09503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one
Also Known As: BAS 00619668, 4-[3-(5-methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one, BIM-0015937.P001, 3-(5-methyl-2-furyl)-5-nitro-2-(3-oxobutyl)benzofuran, 4-[5-nitro-3-(5-methyl-2-furyl)-1-benzofuran-2-yl]-2-butanone
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H15NO5 |
| Molecular Weight | 313.09503 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.09503 Da |
| Heavy Atoms | 23 |
| Complexity | 462.0 |
| SMILES | CC1=CC=C(O1)C2=C(OC3=C2C=C(C=C3)[N+](=O)[O-])CCC(=O)C |
| InChIKey | KEPCVLLQGUTGOW-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 4-[3-(5-Methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(5-Methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one. Following Lipinski's Rule of Five, 4-[3-(5-Methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-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 4-[3-(5-Methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one is 147723-40-8.
The molecular formula of 4-[3-(5-Methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one is C17H15NO5.
The molecular weight of 4-[3-(5-Methylfuran-2-yl)-5-nitro-1-benzofuran-2-yl]butan-2-one is 313.09503 g/mol.
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