TL;DR: (E)-4-(3-(indolin-1-yl)-3-oxoprop-1-en-1-yl)phenyl 2-fluorobenzoate (CAS 1321949-74-9) is a chemical compound with molecular formula C24H18FNO3 and molecular weight 387.12708 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(E)-3-(2,3-dihydroindol-1-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate
Also Known As: F1261-0010, (E)-4-(3-(indolin-1-yl)-3-oxoprop-1-en-1-yl)phenyl 2-fluorobenzoate, [4-[(E)-3-(2,3-dihydroindol-1-yl)-3-oxoprop-1-enyl]phenyl] 2-fluorobenzoate, 4-[(1E)-3-(2,3-dihydro-1H-indol-1-yl)-3-oxoprop-1-en-1-yl]phenyl 2-fluorobenzoate, p-[(E)-3-(1-indolinyl)-3-oxo-1-propenyl]phenyl o-fluorobenzoate
| Molecular Formula | C24H18FNO3 |
| Molecular Weight | 387.12708 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.12708 Da |
| Heavy Atoms | 29 |
| Complexity | 613.0 |
| SMILES | C1CN(C2=CC=CC=C21)C(=O)/C=C/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4F |
| InChIKey | XWFMUQUXVSJCAO-SDNWHVSQSA-N |
The XLogP value of 4.9 indicates that (E)-4-(3-(indolin-1-yl)-3-oxoprop-1-en-1-yl)phenyl 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, (E)-4-(3-(indolin-1-yl)-3-oxoprop-1-en-1-yl)phenyl 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(3-(indolin-1-yl)-3-oxoprop-1-en-1-yl)phenyl 2-fluorobenzoate has 0 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 (E)-4-(3-(indolin-1-yl)-3-oxoprop-1-en-1-yl)phenyl 2-fluorobenzoate is 1321949-74-9.
The molecular formula of (E)-4-(3-(indolin-1-yl)-3-oxoprop-1-en-1-yl)phenyl 2-fluorobenzoate is C24H18FNO3.
The molecular weight of (E)-4-(3-(indolin-1-yl)-3-oxoprop-1-en-1-yl)phenyl 2-fluorobenzoate is 387.12708 g/mol.
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