TL;DR: 3-[1-[4-[2-(Methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol (CAS 1185241-63-7) is a chemical compound with molecular formula C25H27NO2 and molecular weight 373.2042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
Also Known As: N-Demethyldroloxifene, N-Desmethyl Droloxifene-d5, N-Demethyl-3-hydroxytamoxifen, N-DESMETHYL DROLOXIFENE, Phenol,3-[(1E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]-
| Molecular Formula | C25H27NO2 |
| Molecular Weight | 373.2042 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 41.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.2042 Da |
| Heavy Atoms | 28 |
| Complexity | 475.0 |
| SMILES | CCC(=C(C1=CC=C(C=C1)OCCNC)C2=CC(=CC=C2)O)C3=CC=CC=C3 |
| InChIKey | QPHNKIXIKDPNDI-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that 3-[1-[4-[2-(Methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, 3-[1-[4-[2-(Methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[1-[4-[2-(Methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-[1-[4-[2-(Methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is 1185241-63-7.
The molecular formula of 3-[1-[4-[2-(Methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is C25H27NO2.
The molecular weight of 3-[1-[4-[2-(Methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol is 373.2042 g/mol.
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