TL;DR: Ethanone, 1-(4-amino-5-(2-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)- (CAS 91481-03-7) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-amino-5-(2-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Also Known As: 1-(4-Amino-5-(o-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)ethanone, 1-[4-amino-5-(2-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone, ETHANONE, 1-(4-AMINO-5-(2-METHOXYPHENYL)-2-METHYL-1H-PYRROL-3-YL)-, Ketone, (4-amino-5-(2-methoxyphenyl)-2-methylpyrrol-3-yl) methyl, 1-[4-Amino-5- -2-methyl-1H-pyrrol-3-yl]ethanone
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.12119 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 68.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.12119 Da |
| Heavy Atoms | 18 |
| Complexity | 308.0 |
| SMILES | CC1=C(C(=C(N1)C2=CC=CC=C2OC)N)C(=O)C |
| InChIKey | AVGIPTWEOCXHOK-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(4-amino-5-(2-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)-. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-amino-5-(2-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)-. Following Lipinski's Rule of Five, Ethanone, 1-(4-amino-5-(2-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)- has 2 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-(4-amino-5-(2-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)- is 91481-03-7.
The molecular formula of Ethanone, 1-(4-amino-5-(2-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)- is C14H16N2O2.
The molecular weight of Ethanone, 1-(4-amino-5-(2-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)- is 244.12119 g/mol.
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