TL;DR: (E)-4-((2-(2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl)hydrazono)methyl)-2-methoxyphenyl furan-2-carboxylate (CAS 1005842-49-8) is a chemical compound with molecular formula C20H19BrN4O5 and molecular weight 474.0539 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[(E)-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
Also Known As: (E)-4-((2-(2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl)hydrazono)methyl)-2-methoxyphenyl furan-2-carboxylate, [4-[(E)-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate, 4-[(E)-{2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]hydrazinylidene}methyl]-2-methoxyphenyl furan-2-carboxylate
| Molecular Formula | C20H19BrN4O5 |
| Molecular Weight | 474.0539 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.0539 Da |
| Heavy Atoms | 30 |
| Complexity | 636.0 |
| SMILES | CC1=C(C(=NN1CC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC)C)Br |
| InChIKey | MLBFYYXPAGPDSN-LSHDLFTRSA-N |
The XLogP value of 3.6 indicates that (E)-4-((2-(2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl)hydrazono)methyl)-2-methoxyphenyl furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((2-(2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl)hydrazono)methyl)-2-methoxyphenyl furan-2-carboxylate. Following Lipinski's Rule of Five, (E)-4-((2-(2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl)hydrazono)methyl)-2-methoxyphenyl furan-2-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-4-((2-(2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl)hydrazono)methyl)-2-methoxyphenyl furan-2-carboxylate is 1005842-49-8.
The molecular formula of (E)-4-((2-(2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl)hydrazono)methyl)-2-methoxyphenyl furan-2-carboxylate is C20H19BrN4O5.
The molecular weight of (E)-4-((2-(2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl)hydrazono)methyl)-2-methoxyphenyl furan-2-carboxylate is 474.0539 g/mol.
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