TL;DR: 4-bromo-2-{(E)-[(3,4-dichlorophenyl)imino]methyl}phenol (CAS 1598429-04-9) is a chemical compound with molecular formula C13H8BrCl2NO and molecular weight 342.91663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-2-[(3,4-dichlorophenyl)iminomethyl]phenol
Also Known As: 4-bromo-2-{(E)-[(3,4-dichlorophenyl)imino]methyl}phenol, 4-bromo-2-[(3,4-dichlorophenyl)iminomethyl]phenol, (E)-4-bromo-2-(((3,4-dichlorophenyl)imino)methyl)phenol, 4-bromo-2-{[(3,4-dichlorophenyl)imino]methyl}phenol, 2-[(1E)-2-(3,4-dichlorophenyl)-2-azavinyl]-4-bromophenol
| Molecular Formula | C13H8BrCl2NO |
| Molecular Weight | 342.91663 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.91663 Da |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
| SMILES | C1=CC(=C(C=C1N=CC2=C(C=CC(=C2)Br)O)Cl)Cl |
| InChIKey | QLEALEXAWIYIOB-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 4-bromo-2-{(E)-[(3,4-dichlorophenyl)imino]methyl}phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.6 Ų, 4-bromo-2-{(E)-[(3,4-dichlorophenyl)imino]methyl}phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-2-{(E)-[(3,4-dichlorophenyl)imino]methyl}phenol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-bromo-2-{(E)-[(3,4-dichlorophenyl)imino]methyl}phenol is 1598429-04-9.
The molecular formula of 4-bromo-2-{(E)-[(3,4-dichlorophenyl)imino]methyl}phenol is C13H8BrCl2NO.
The molecular weight of 4-bromo-2-{(E)-[(3,4-dichlorophenyl)imino]methyl}phenol is 342.91663 g/mol.
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