TL;DR: 3-[1-(4-fluorophenyl)-2-nitroethyl]-1-methyl-2-phenyl-1H-indole (CAS 314257-91-5) is a chemical compound with molecular formula C23H19FN2O2 and molecular weight 374.14307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[1-(4-fluorophenyl)-2-nitroethyl]-1-methyl-2-phenylindole
Also Known As: 3-[1-(4-fluorophenyl)-2-nitroethyl]-1-methyl-2-phenyl-1H-indole, 3-[1-(4-fluorophenyl)-2-nitroethyl]-1-methyl-2-phenylindole, F0815-0070, 3-(1-(4-fluorophenyl)-2-nitroethyl)-1-methyl-2-phenyl-1H-indole
| Molecular Formula | C23H19FN2O2 |
| Molecular Weight | 374.14307 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.14307 Da |
| Heavy Atoms | 28 |
| Complexity | 525.0 |
| SMILES | CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(C[N+](=O)[O-])C4=CC=C(C=C4)F |
| InChIKey | VTTFJIXGUHXGOW-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 3-[1-(4-fluorophenyl)-2-nitroethyl]-1-methyl-2-phenyl-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 3-[1-(4-fluorophenyl)-2-nitroethyl]-1-methyl-2-phenyl-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[1-(4-fluorophenyl)-2-nitroethyl]-1-methyl-2-phenyl-1H-indole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-[1-(4-fluorophenyl)-2-nitroethyl]-1-methyl-2-phenyl-1H-indole is 314257-91-5.
The molecular formula of 3-[1-(4-fluorophenyl)-2-nitroethyl]-1-methyl-2-phenyl-1H-indole is C23H19FN2O2.
The molecular weight of 3-[1-(4-fluorophenyl)-2-nitroethyl]-1-methyl-2-phenyl-1H-indole is 374.14307 g/mol.
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