TL;DR: 3(2H)-Furanone, 5-(4-methoxyphenyl)-2-(2-(4-nitrophenyl)-2-oxoethylidene)- (CAS 139266-52-7) is a chemical compound with molecular formula C19H13NO6 and molecular weight 351.07428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-5-(4-methoxyphenyl)-2-[2-(4-nitrophenyl)-2-oxoethylidene]furan-3-one
Also Known As: 5-(4-Methoxyphenyl)-2-(2-(4-nitrophenyl)-2-oxoethylidene)-3(2H)-furanone, 3(2H)-Furanone, 5-(4-methoxyphenyl)-2-(2-(4-nitrophenyl)-2-oxoethylidene)-, 2-(4-Nitrobenzoylmethylene)-5-(4-methoxyphenyl)furan-3(2H)-one, (2E)-5-(4-methoxyphenyl)-2-[2-(4-nitrophenyl)-2-oxoethylidene]furan-3-one, 5-(4-methoxyphenyl)-2-[2-(4-nitrophenyl)-2-oxoethylidene]-2,3-dihydrofuran-3-one
| Molecular Formula | C19H13NO6 |
| Molecular Weight | 351.07428 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.07428 Da |
| Heavy Atoms | 26 |
| Complexity | 631.0 |
| SMILES | COC1=CC=C(C=C1)C2=CC(=O)/C(=C\C(=O)C3=CC=C(C=C3)[N+](=O)[O-])/O2 |
| InChIKey | AXLJDUYUSRVFTC-VXLYETTFSA-N |
The XLogP value of 3.1 indicates that 3(2H)-Furanone, 5-(4-methoxyphenyl)-2-(2-(4-nitrophenyl)-2-oxoethylidene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(2H)-Furanone, 5-(4-methoxyphenyl)-2-(2-(4-nitrophenyl)-2-oxoethylidene)-. Following Lipinski's Rule of Five, 3(2H)-Furanone, 5-(4-methoxyphenyl)-2-(2-(4-nitrophenyl)-2-oxoethylidene)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3(2H)-Furanone, 5-(4-methoxyphenyl)-2-(2-(4-nitrophenyl)-2-oxoethylidene)- is 139266-52-7.
The molecular formula of 3(2H)-Furanone, 5-(4-methoxyphenyl)-2-(2-(4-nitrophenyl)-2-oxoethylidene)- is C19H13NO6.
The molecular weight of 3(2H)-Furanone, 5-(4-methoxyphenyl)-2-(2-(4-nitrophenyl)-2-oxoethylidene)- is 351.07428 g/mol.
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