TL;DR: N,N'-bis[(E)-(5-nitrofuran-2-yl)methylidene]benzene-1,4-diamine (CAS 13410-78-1) is a chemical compound with molecular formula C16H10N4O6 and molecular weight 354.06003 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-nitrofuran-2-yl)-N-[4-[(5-nitrofuran-2-yl)methylideneamino]phenyl]methanimine
Also Known As: BAS 00171999, N,N'-bis[(5-nitro-2-furyl)methylene]-1,4-benzenediamine, N,N'-Bis-(5-nitro-furan-2-ylmethylene)-benzene-1,4-diamine, N,N'-bis[(E)-(5-nitrofuran-2-yl)methylidene]benzene-1,4-diamine, 1-(5-nitrofuran-2-yl)-N-[4-[(5-nitrofuran-2-yl)methylideneamino]phenyl]methanimine
| Molecular Formula | C16H10N4O6 |
| Molecular Weight | 354.06003 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.06003 Da |
| Heavy Atoms | 26 |
| Complexity | 514.0 |
| SMILES | C1=CC(=CC=C1N=CC2=CC=C(O2)[N+](=O)[O-])N=CC3=CC=C(O3)[N+](=O)[O-] |
| InChIKey | QNRMMUFARMUSCJ-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that N,N'-bis[(E)-(5-nitrofuran-2-yl)methylidene]benzene-1,4-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting N,N'-bis[(E)-(5-nitrofuran-2-yl)methylidene]benzene-1,4-diamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-bis[(E)-(5-nitrofuran-2-yl)methylidene]benzene-1,4-diamine has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N,N'-bis[(E)-(5-nitrofuran-2-yl)methylidene]benzene-1,4-diamine is 13410-78-1.
The molecular formula of N,N'-bis[(E)-(5-nitrofuran-2-yl)methylidene]benzene-1,4-diamine is C16H10N4O6.
The molecular weight of N,N'-bis[(E)-(5-nitrofuran-2-yl)methylidene]benzene-1,4-diamine is 354.06003 g/mol.
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