TL;DR: 4-[methyl(Nitroso)amino]benzene-1,2-Diol (CAS 173043-84-0) is a chemical compound with molecular formula C7H8N2O3 and molecular weight 168.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3,4-dihydroxyphenyl)-N-methylnitrous amide
Also Known As: 3,4-dephostatin, Me-3,4-dephostatin, Methyl-3,4-dephostatin, Lopac-M-9440, 3,4-Dihydroxy-N-methyl-N-nitrosoaniline
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H8N2O3 |
| Molecular Weight | 168.0535 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.0535 Da |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
| SMILES | CN(C1=CC(=C(C=C1)O)O)N=O |
| InChIKey | XAKAQCMEMMZUEO-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[methyl(Nitroso)amino]benzene-1,2-Diol. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[methyl(Nitroso)amino]benzene-1,2-Diol. Following Lipinski's Rule of Five, 4-[methyl(Nitroso)amino]benzene-1,2-Diol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[methyl(Nitroso)amino]benzene-1,2-Diol is 173043-84-0.
The molecular formula of 4-[methyl(Nitroso)amino]benzene-1,2-Diol is C7H8N2O3.
The molecular weight of 4-[methyl(Nitroso)amino]benzene-1,2-Diol is 168.0535 g/mol.
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