TL;DR: 3-[5-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid (CAS 1191105-64-2) is a chemical compound with molecular formula C17H12N4O5 and molecular weight 352.08078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Also Known As: BIM-0036427.P001, 3-{5-[2-(5-nitro-2-pyridinyl)carbonohydrazonoyl]-2-furyl}benzoic acid, 3-[5-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid, 3-[5-[(E)-[(5-nitro-2-pyridyl)hydrazono]methyl]-2-furyl]benzoic acid, (E)-3-(5-((2-(5-nitropyridin-2-yl)hydrazono)methyl)furan-2-yl)benzoic acid
| Molecular Formula | C17H12N4O5 |
| Molecular Weight | 352.08078 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.08078 Da |
| Heavy Atoms | 26 |
| Complexity | 538.0 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=N/NC3=NC=C(C=C3)[N+](=O)[O-] |
| InChIKey | UJCGINKTRBXMAN-VXLYETTFSA-N |
The XLogP value of 3.2 indicates that 3-[5-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid. Following Lipinski's Rule of Five, 3-[5-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid has 2 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 3-[5-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is 1191105-64-2.
The molecular formula of 3-[5-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is C17H12N4O5.
The molecular weight of 3-[5-[(E)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is 352.08078 g/mol.
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