TL;DR: 1-(4-Fluorophenyl)-3-(4-methoxyphenyl)urea (CAS 107676-55-1) is a chemical compound with molecular formula C14H13FN2O2 and molecular weight 260.0961 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-3-(4-methoxyphenyl)urea
Also Known As: 1-(4-fluorophenyl)-3-(4-methoxyphenyl)urea, J3.500.551J, N-(4-fluorophenyl)-N'-(4-methoxyphenyl)urea, AB00082863-01, 666-677-5
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H13FN2O2 |
| Molecular Weight | 260.0961 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0961 Da |
| Heavy Atoms | 19 |
| Complexity | 285.0 |
| SMILES | COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)F |
| InChIKey | TYFLHNPOKOIZSJ-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorophenyl)-3-(4-methoxyphenyl)urea. With a topological polar surface area (TPSA) of 50.4 Ų, 1-(4-Fluorophenyl)-3-(4-methoxyphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-3-(4-methoxyphenyl)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-Fluorophenyl)-3-(4-methoxyphenyl)urea is 107676-55-1.
The molecular formula of 1-(4-Fluorophenyl)-3-(4-methoxyphenyl)urea is C14H13FN2O2.
The molecular weight of 1-(4-Fluorophenyl)-3-(4-methoxyphenyl)urea is 260.0961 g/mol.
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