TL;DR: [(Z)-(2,6-difluorophenyl)methylideneamino]urea (CAS 120445-59-2) is a chemical compound with molecular formula C8H7F2N3O and molecular weight 199.05573 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(Z)-(2,6-difluorophenyl)methylideneamino]urea
Also Known As: 2,6-difluoro-benzaldehyde-semicarbazone, [(Z)-(2,6-difluorophenyl)methylideneamino]urea
| Molecular Formula | C8H7F2N3O |
| Molecular Weight | 199.05573 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.05573 Da |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
| SMILES | C1=CC(=C(C(=C1)F)/C=N\NC(=O)N)F |
| InChIKey | ZQWFSMXEVNWYPN-QCDXTXTGSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(Z)-(2,6-difluorophenyl)methylideneamino]urea. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [(Z)-(2,6-difluorophenyl)methylideneamino]urea. Following Lipinski's Rule of Five, [(Z)-(2,6-difluorophenyl)methylideneamino]urea has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(Z)-(2,6-difluorophenyl)methylideneamino]urea is 120445-59-2.
The molecular formula of [(Z)-(2,6-difluorophenyl)methylideneamino]urea is C8H7F2N3O.
The molecular weight of [(Z)-(2,6-difluorophenyl)methylideneamino]urea is 199.05573 g/mol.
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