TL;DR: 1-[2-(4-Chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]urea (CAS 1164539-94-9) is a chemical compound with molecular formula C16H14Cl2N2O and molecular weight 320.0483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]urea
Also Known As: N-(4-chlorobenzyl)-N'-(4-chlorostyryl)urea, 1-[2-(4-chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]urea
| Molecular Formula | C16H14Cl2N2O |
| Molecular Weight | 320.0483 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.0483 Da |
| Heavy Atoms | 21 |
| Complexity | 346.0 |
| SMILES | C1=CC(=CC=C1CNC(=O)NC=CC2=CC=C(C=C2)Cl)Cl |
| InChIKey | JGKPPGDPPZEFAG-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 1-[2-(4-Chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 1-[2-(4-Chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(4-Chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]urea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[2-(4-Chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]urea is 1164539-94-9.
The molecular formula of 1-[2-(4-Chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]urea is C16H14Cl2N2O.
The molecular weight of 1-[2-(4-Chlorophenyl)ethenyl]-3-[(4-chlorophenyl)methyl]urea is 320.0483 g/mol.
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