TL;DR: 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one (CAS 139715-33-6) is a chemical compound with molecular formula C17H14FNO3 and molecular weight 299.09576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
Also Known As: BAS 00728299, BIM-0007243.P001, 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one, 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one, 3-(2-(4-fluorophenyl)-2-oxoethyl)-3-hydroxy-1-methylindolin-2-one
| Molecular Formula | C17H14FNO3 |
| Molecular Weight | 299.09576 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.09576 Da |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
| SMILES | CN1C2=CC=CC=C2C(C1=O)(CC(=O)C3=CC=C(C=C3)F)O |
| InChIKey | INLYWEAJGUXMQH-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one. With a topological polar surface area (TPSA) of 57.6 Ų, 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one has 1 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 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one is 139715-33-6.
The molecular formula of 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one is C17H14FNO3.
The molecular weight of 3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one is 299.09576 g/mol.
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