TL;DR: 1-(4-Fluorophenyl)-3-(4-methylpyridin-2-yl)urea (CAS 152359-02-9) is a chemical compound with molecular formula C13H12FN3O and molecular weight 245.09644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
Also Known As: 1-(4-fluorophenyl)-3-(4-methylpyridin-2-yl)urea, AE-848/31764036, N-(4-fluorophenyl)-N'-(4-methyl-2-pyridinyl)urea, N-(4-FLUOROPHENYL)-N'-(4-METHYL-2-PYRIDYL)UREA, N-(4-fluorophenyl)[(4-methyl(2-pyridyl))amino]carboxamide
| Molecular Formula | C13H12FN3O |
| Molecular Weight | 245.09644 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.09644 Da |
| Heavy Atoms | 18 |
| Complexity | 279.0 |
| SMILES | CC1=CC(=NC=C1)NC(=O)NC2=CC=C(C=C2)F |
| InChIKey | BAQCVHSZAYPNKP-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorophenyl)-3-(4-methylpyridin-2-yl)urea. With a topological polar surface area (TPSA) of 54.0 Ų, 1-(4-Fluorophenyl)-3-(4-methylpyridin-2-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-3-(4-methylpyridin-2-yl)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-methylpyridin-2-yl)urea is 152359-02-9.
The molecular formula of 1-(4-Fluorophenyl)-3-(4-methylpyridin-2-yl)urea is C13H12FN3O.
The molecular weight of 1-(4-Fluorophenyl)-3-(4-methylpyridin-2-yl)urea is 245.09644 g/mol.
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