TL;DR: ETHANONE, 1-(1-METHYL-5-NITRONAPHTHO(2,1-b)FURAN-2-YL)- (CAS 86539-70-0) is a chemical compound with molecular formula C15H11NO4 and molecular weight 269.06882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-methyl-5-nitrobenzo[e][1]benzofuran-2-yl)ethanone
Also Known As: R 7426, ETHANONE, 1-(1-METHYL-5-NITRONAPHTHO(2,1-b)FURAN-2-YL)-, 1-(1-Methyl-5-nitronaphtho(2,1-b)furan-2-yl)ethanone, R-7426, 1-(1-methyl-5-nitrobenzo[e][1]benzofuran-2-yl)ethanone
| Molecular Formula | C15H11NO4 |
| Molecular Weight | 269.06882 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.06882 Da |
| Heavy Atoms | 20 |
| Complexity | 419.0 |
| SMILES | CC1=C(OC2=C1C3=CC=CC=C3C(=C2)[N+](=O)[O-])C(=O)C |
| InChIKey | QHVHZINLAKUWPZ-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that ETHANONE, 1-(1-METHYL-5-NITRONAPHTHO(2,1-b)FURAN-2-YL)- 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 ETHANONE, 1-(1-METHYL-5-NITRONAPHTHO(2,1-b)FURAN-2-YL)-. Following Lipinski's Rule of Five, ETHANONE, 1-(1-METHYL-5-NITRONAPHTHO(2,1-b)FURAN-2-YL)- 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 ETHANONE, 1-(1-METHYL-5-NITRONAPHTHO(2,1-b)FURAN-2-YL)- is 86539-70-0.
The molecular formula of ETHANONE, 1-(1-METHYL-5-NITRONAPHTHO(2,1-b)FURAN-2-YL)- is C15H11NO4.
The molecular weight of ETHANONE, 1-(1-METHYL-5-NITRONAPHTHO(2,1-b)FURAN-2-YL)- is 269.06882 g/mol.
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