TL;DR: 2-[(Z)-1-nitro-2-(propan-2-ylamino)ethenyl]benzene-1,4-diol (CAS 134387-78-3) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(Z)-1-nitro-2-(propan-2-ylamino)ethenyl]benzene-1,4-diol
Also Known As: BIM-0003942.P001, 2-[(Z)-1-nitro-2-(propan-2-ylamino)ethenyl]benzene-1,4-diol, (Z)-2-(2-(isopropylamino)-1-nitrovinyl)benzene-1,4-diol, Cambridge id 6048456
| Molecular Formula | C11H14N2O4 |
| Molecular Weight | 238.09535 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 98.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.09535 Da |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
| SMILES | CC(C)N/C=C(/C1=C(C=CC(=C1)O)O)\[N+](=O)[O-] |
| InChIKey | PSLHGABMPCXUED-POHAHGRESA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Z)-1-nitro-2-(propan-2-ylamino)ethenyl]benzene-1,4-diol. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Z)-1-nitro-2-(propan-2-ylamino)ethenyl]benzene-1,4-diol. Following Lipinski's Rule of Five, 2-[(Z)-1-nitro-2-(propan-2-ylamino)ethenyl]benzene-1,4-diol has 3 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 2-[(Z)-1-nitro-2-(propan-2-ylamino)ethenyl]benzene-1,4-diol is 134387-78-3.
The molecular formula of 2-[(Z)-1-nitro-2-(propan-2-ylamino)ethenyl]benzene-1,4-diol is C11H14N2O4.
The molecular weight of 2-[(Z)-1-nitro-2-(propan-2-ylamino)ethenyl]benzene-1,4-diol is 238.09535 g/mol.
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