TL;DR: [(E)-naphthalen-1-ylmethylideneamino]urea (CAS 120445-68-3) is a chemical compound with molecular formula C12H11N3O and molecular weight 213.09021 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-naphthalen-1-ylmethylideneamino]urea
Also Known As: 1-Naphthaldehydesemicarbazone, 1-naphthaldehyde semicarbazone, 1-Naphthalenecarbaldehydesemicarbazone, [(E)-naphthalen-1-ylmethylideneamino]urea, Naphthalene-1-carbaldehydesemicarbazone
| Molecular Formula | C12H11N3O |
| Molecular Weight | 213.09021 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.09021 Da |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2/C=N/NC(=O)N |
| InChIKey | PGGDPZZBYGQPGJ-RIYZIHGNSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-naphthalen-1-ylmethylideneamino]urea. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [(E)-naphthalen-1-ylmethylideneamino]urea. Following Lipinski's Rule of Five, [(E)-naphthalen-1-ylmethylideneamino]urea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(E)-naphthalen-1-ylmethylideneamino]urea is 120445-68-3.
The molecular formula of [(E)-naphthalen-1-ylmethylideneamino]urea is C12H11N3O.
The molecular weight of [(E)-naphthalen-1-ylmethylideneamino]urea is 213.09021 g/mol.
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