TL;DR: 1-(4-Bromo-2-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea (CAS 1023015-74-8) is a chemical compound with molecular formula C15H14BrFN2O2 and molecular weight 352.02228 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromo-2-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
Also Known As: AB00034511-01, Urea, N-(4-bromo-2-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]-, 1-(4-bromo-2-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea, 3-(4-bromo-2-fluoro-phenyl)-1-[(3-methoxyphenyl)methyl]urea
| Molecular Formula | C15H14BrFN2O2 |
| Molecular Weight | 352.02228 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.02228 Da |
| Heavy Atoms | 21 |
| Complexity | 346.0 |
| SMILES | COC1=CC=CC(=C1)CNC(=O)NC2=C(C=C(C=C2)Br)F |
| InChIKey | VPGSIQFGAWRBQM-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1-(4-Bromo-2-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, 1-(4-Bromo-2-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromo-2-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-Bromo-2-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea is 1023015-74-8.
The molecular formula of 1-(4-Bromo-2-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea is C15H14BrFN2O2.
The molecular weight of 1-(4-Bromo-2-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea is 352.02228 g/mol.
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