TL;DR: {[(4-Methoxyphenyl)methylidene]amino}urea (CAS 120445-53-6) is a chemical compound with molecular formula C9H11N3O2 and molecular weight 193.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4-methoxyphenyl)methylideneamino]urea
Also Known As: 4-Methoxybenzaldehyde semicarbazone, [(4-methoxyphenyl)methylideneamino]urea, p-methoxybenzaldehyde semicarbazone, {[(4-methoxyphenyl)methylidene]amino}urea, [(E)-[(4-methoxyphenyl)methylidene]amino]urea
| Molecular Formula | C9H11N3O2 |
| Molecular Weight | 193.08513 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.08513 Da |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
| SMILES | COC1=CC=C(C=C1)C=NNC(=O)N |
| InChIKey | OGMVRNVTFDFHHE-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[(4-Methoxyphenyl)methylidene]amino}urea. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for {[(4-Methoxyphenyl)methylidene]amino}urea. Following Lipinski's Rule of Five, {[(4-Methoxyphenyl)methylidene]amino}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 {[(4-Methoxyphenyl)methylidene]amino}urea is 120445-53-6.
The molecular formula of {[(4-Methoxyphenyl)methylidene]amino}urea is C9H11N3O2.
The molecular weight of {[(4-Methoxyphenyl)methylidene]amino}urea is 193.08513 g/mol.
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