TL;DR: 4-[3-[2-(Dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol (CAS 130579-75-8) is a chemical compound with molecular formula C19H21FN2O2 and molecular weight 328.1587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-[2-(dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol
Also Known As: Eplivanserin, Eplivanserin (mixture), Eplivanserin hemifumarate, SR 46349B, 4-[3-[2-(Dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C19H21FN2O2 |
| Molecular Weight | 328.1587 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 45.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.1587 Da |
| Heavy Atoms | 24 |
| Complexity | 418.0 |
| SMILES | CN(C)CCON=C(C=CC1=CC=C(C=C1)O)C2=CC=CC=C2F |
| InChIKey | VAIOZOCLKVMIMN-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 4-[3-[2-(Dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.1 Ų, 4-[3-[2-(Dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-[2-(Dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[3-[2-(Dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol is 130579-75-8.
The molecular formula of 4-[3-[2-(Dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol is C19H21FN2O2.
The molecular weight of 4-[3-[2-(Dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol is 328.1587 g/mol.
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