TL;DR: 1-phenyl-3-{4-[(E)-phenyldiazenyl]phenyl}urea (CAS 1632236-80-6) is a chemical compound with molecular formula C19H16N4O and molecular weight 316.13242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-3-(4-phenyldiazenylphenyl)urea
Also Known As: 1-phenyl-3-(4-phenyldiazenylphenyl)urea, 1-Phenyl-3-[4-[(E)-phenylazo]phenyl]urea, J3.367.254C, 1-phenyl-3-{4-[(E)-phenyldiazenyl]phenyl}urea, 3-phenyl-1-{4-[(1E)-2-phenyldiazen-1-yl]phenyl}urea
| Molecular Formula | C19H16N4O |
| Molecular Weight | 316.13242 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 65.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.13242 Da |
| Heavy Atoms | 24 |
| Complexity | 406.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3 |
| InChIKey | SIMXZFHSFMLYDZ-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 1-phenyl-3-{4-[(E)-phenyldiazenyl]phenyl}urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-phenyl-3-{4-[(E)-phenyldiazenyl]phenyl}urea. Following Lipinski's Rule of Five, 1-phenyl-3-{4-[(E)-phenyldiazenyl]phenyl}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-phenyl-3-{4-[(E)-phenyldiazenyl]phenyl}urea is 1632236-80-6.
The molecular formula of 1-phenyl-3-{4-[(E)-phenyldiazenyl]phenyl}urea is C19H16N4O.
The molecular weight of 1-phenyl-3-{4-[(E)-phenyldiazenyl]phenyl}urea is 316.13242 g/mol.
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