TL;DR: 2-{[(E)-(4-methoxyphenyl)methylidene]amino}-1-(4-nitrophenyl)propane-1,3-diol (CAS 1089303-70-7) is a chemical compound with molecular formula C17H18N2O5 and molecular weight 330.12158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-methoxyphenyl)methylideneamino]-1-(4-nitrophenyl)propane-1,3-diol
Also Known As: (E)-2-((4-methoxybenzylidene)amino)-1-(4-nitrophenyl)propane-1,3-diol, 2-[(4-methoxyphenyl)methylideneamino]-1-(4-nitrophenyl)propane-1,3-diol, 2-{[(E)-(4-methoxyphenyl)methylidene]amino}-1-(4-nitrophenyl)propane-1,3-diol, 2-{[1-(4-Methoxy-phenyl)-meth-(E)-ylidene]-amino}-1-(4-nitro-phenyl)-propane-1,3-diol
| Molecular Formula | C17H18N2O5 |
| Molecular Weight | 330.12158 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.12158 Da |
| Heavy Atoms | 24 |
| Complexity | 410.0 |
| SMILES | COC1=CC=C(C=C1)C=NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O |
| InChIKey | UGPNXGYAEZANPN-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(E)-(4-methoxyphenyl)methylidene]amino}-1-(4-nitrophenyl)propane-1,3-diol. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(E)-(4-methoxyphenyl)methylidene]amino}-1-(4-nitrophenyl)propane-1,3-diol. Following Lipinski's Rule of Five, 2-{[(E)-(4-methoxyphenyl)methylidene]amino}-1-(4-nitrophenyl)propane-1,3-diol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{[(E)-(4-methoxyphenyl)methylidene]amino}-1-(4-nitrophenyl)propane-1,3-diol is 1089303-70-7.
The molecular formula of 2-{[(E)-(4-methoxyphenyl)methylidene]amino}-1-(4-nitrophenyl)propane-1,3-diol is C17H18N2O5.
The molecular weight of 2-{[(E)-(4-methoxyphenyl)methylidene]amino}-1-(4-nitrophenyl)propane-1,3-diol is 330.12158 g/mol.
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