TL;DR: N-Methyl-N'-(4-methylphenyl)-N-nitrosourea (CAS 23139-00-6) 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.
1-methyl-3-(4-methylphenyl)-1-nitrosourea
Also Known As: Galvinoxyl, 1-Methyl-1-nitroso-3-(p-tolyl)urea, N-Methyl-N'-(4-methylphenyl)-N-nitrosourea, N-Methyl-N'-(p-methylphenyl)-N-nitrosourea, 1-methyl-3-(4-methylphenyl)-1-nitrosourea
| Molecular Formula | C9H11N3O2 |
| Molecular Weight | 193.08513 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.08513 Da |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
| SMILES | CC1=CC=C(C=C1)NC(=O)N(C)N=O |
| InChIKey | LROYCOOKXXUFRY-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-N'-(4-methylphenyl)-N-nitrosourea. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl-N'-(4-methylphenyl)-N-nitrosourea. Following Lipinski's Rule of Five, N-Methyl-N'-(4-methylphenyl)-N-nitrosourea has 1 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 N-Methyl-N'-(4-methylphenyl)-N-nitrosourea is 23139-00-6.
The molecular formula of N-Methyl-N'-(4-methylphenyl)-N-nitrosourea is C9H11N3O2.
The molecular weight of N-Methyl-N'-(4-methylphenyl)-N-nitrosourea is 193.08513 g/mol.
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