TL;DR: Ethanone, 1-[2-methyl-5-(3-nitrophenyl)-1-phenyl-1H-pyrrol-3-yl]- (CAS 100989-61-5) is a chemical compound with molecular formula C19H16N2O3 and molecular weight 320.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-methyl-5-(3-nitrophenyl)-1-phenylpyrrol-3-yl]ethanone
Also Known As: Ethanone, 1-[2-methyl-5-(3-nitrophenyl)-1-phenyl-1H-pyrrol-3-yl]-, 1-(2-Methyl-5-(3-nitrophenyl)-1-phenyl-1H-pyrrol-3-yl)ethanone, 1-[2-methyl-5-(3-nitrophenyl)-1-phenyl-pyrrol-3-yl]ethanone, 1-[2-methyl-5-(3-nitrophenyl)-1-phenylpyrrol-3-yl]ethanone, 1-[2-Methyl-5-(3-nitro-phenyl)-1-phenyl-1H-pyrrol-3-yl]-ethanone
| Molecular Formula | C19H16N2O3 |
| Molecular Weight | 320.1161 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.1161 Da |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
| SMILES | CC1=C(C=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C |
| InChIKey | DLBKYGRIVALCRH-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that Ethanone, 1-[2-methyl-5-(3-nitrophenyl)-1-phenyl-1H-pyrrol-3-yl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-[2-methyl-5-(3-nitrophenyl)-1-phenyl-1H-pyrrol-3-yl]-. Following Lipinski's Rule of Five, Ethanone, 1-[2-methyl-5-(3-nitrophenyl)-1-phenyl-1H-pyrrol-3-yl]- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanone, 1-[2-methyl-5-(3-nitrophenyl)-1-phenyl-1H-pyrrol-3-yl]- is 100989-61-5.
The molecular formula of Ethanone, 1-[2-methyl-5-(3-nitrophenyl)-1-phenyl-1H-pyrrol-3-yl]- is C19H16N2O3.
The molecular weight of Ethanone, 1-[2-methyl-5-(3-nitrophenyl)-1-phenyl-1H-pyrrol-3-yl]- is 320.1161 g/mol.
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