TL;DR: (2R)-1-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-oxochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid (CAS 1214632-69-5) is a chemical compound with molecular formula C21H18FNO6 and molecular weight 399.11182 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-1-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-oxochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid
Also Known As: (2R)-1-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-oxochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid, (R)-1-((3-(4-fluorophenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl)methyl)pyrrolidine-2-carboxylic acid, 1-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-oxo-chromen-8-yl]methyl]pyrrolidine-2-carboxylic Acid
| Molecular Formula | C21H18FNO6 |
| Molecular Weight | 399.11182 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.11182 Da |
| Heavy Atoms | 29 |
| Complexity | 671.0 |
| SMILES | C1C[C@@H](N(C1)CC2=C3C(=C(C=C2O)O)C(=O)C(=CO3)C4=CC=C(C=C4)F)C(=O)O |
| InChIKey | ZIFSINOWVDGDEJ-OAHLLOKOSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-1-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-oxochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R)-1-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-oxochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2R)-1-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-oxochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2R)-1-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-oxochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid is 1214632-69-5.
The molecular formula of (2R)-1-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-oxochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid is C21H18FNO6.
The molecular weight of (2R)-1-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-oxochromen-8-yl]methyl]pyrrolidine-2-carboxylic acid is 399.11182 g/mol.
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