TL;DR: 3-[(4-Chlorophenyl)methyl]-1-(2-phenylethenyl)urea (CAS 1164502-84-4) is a chemical compound with molecular formula C16H15ClN2O and molecular weight 286.08728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-chlorophenyl)methyl]-3-(2-phenylethenyl)urea
Also Known As: N-(4-chlorobenzyl)-N'-styrylurea, 3-[(4-CHLOROPHENYL)METHYL]-1-(2-PHENYLETHENYL)UREA, (E)-N-(4-ChlorobenZyl)-3-phenyl-2-propenamide, 1-[(4-chlorophenyl)methyl]-3-(2-phenylethenyl)urea
| Molecular Formula | C16H15ClN2O |
| Molecular Weight | 286.08728 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.08728 Da |
| Heavy Atoms | 20 |
| Complexity | 318.0 |
| SMILES | C1=CC=C(C=C1)C=CNC(=O)NCC2=CC=C(C=C2)Cl |
| InChIKey | XKOIGPNWWVCRSB-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 3-[(4-Chlorophenyl)methyl]-1-(2-phenylethenyl)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, 3-[(4-Chlorophenyl)methyl]-1-(2-phenylethenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Chlorophenyl)methyl]-1-(2-phenylethenyl)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 3-[(4-Chlorophenyl)methyl]-1-(2-phenylethenyl)urea is 1164502-84-4.
The molecular formula of 3-[(4-Chlorophenyl)methyl]-1-(2-phenylethenyl)urea is C16H15ClN2O.
The molecular weight of 3-[(4-Chlorophenyl)methyl]-1-(2-phenylethenyl)urea is 286.08728 g/mol.
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