TL;DR: (Z)-5-((4-(1-(2-(2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanoyl)hydrazono)ethyl)phenoxy)methyl)furan-2-carboxylic acid (CAS 1005594-12-6) is a chemical compound with molecular formula C21H21N5O7 and molecular weight 455.1441 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[[4-[(Z)-C-methyl-N-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]carbonimidoyl]phenoxy]methyl]furan-2-carboxylic acid
Also Known As: (Z)-5-((4-(1-(2-(2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanoyl)hydrazono)ethyl)phenoxy)methyl)furan-2-carboxylic acid, 5-({4-[(1Z)-1-{2-[2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanoyl]hydrazinylidene}ethyl]phenoxy}methyl)furan-2-carboxylic acid, 5-[(4-{(1Z)-1-methyl-2-[2-methyl-3-(4-nitropyrazolyl)propanoylamino]-2-azaviny l}phenoxy)methyl]furan-2-carboxylic acid, 5-[[4-[(Z)-C-methyl-N-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]carbonimidoyl]phenoxy]methyl]furan-2-carboxylic acid
| Molecular Formula | C21H21N5O7 |
| Molecular Weight | 455.1441 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 165.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.1441 Da |
| Heavy Atoms | 33 |
| Complexity | 735.0 |
| SMILES | CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)N/N=C(/C)\C2=CC=C(C=C2)OCC3=CC=C(O3)C(=O)O |
| InChIKey | WEBWPWIYVLOAAO-UCQKPKSFSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-5-((4-(1-(2-(2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanoyl)hydrazono)ethyl)phenoxy)methyl)furan-2-carboxylic acid. The TPSA of 165.0 Ų indicates high polarity, suggesting (Z)-5-((4-(1-(2-(2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanoyl)hydrazono)ethyl)phenoxy)methyl)furan-2-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-5-((4-(1-(2-(2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanoyl)hydrazono)ethyl)phenoxy)methyl)furan-2-carboxylic acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-5-((4-(1-(2-(2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanoyl)hydrazono)ethyl)phenoxy)methyl)furan-2-carboxylic acid is 1005594-12-6.
The molecular formula of (Z)-5-((4-(1-(2-(2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanoyl)hydrazono)ethyl)phenoxy)methyl)furan-2-carboxylic acid is C21H21N5O7.
The molecular weight of (Z)-5-((4-(1-(2-(2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanoyl)hydrazono)ethyl)phenoxy)methyl)furan-2-carboxylic acid is 455.1441 g/mol.
You can request a quote for (Z)-5-((4-(1-(2-(2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanoyl)hydrazono)ethyl)phenoxy)methyl)furan-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
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