TL;DR: (E)-methyl 4-((2-(3-(4-(benzyloxy)-3-methoxyphenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate (CAS 1093401-77-4) is a chemical compound with molecular formula C27H24N4O5 and molecular weight 484.17468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(E)-[[3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
Also Known As: (E)-methyl 4-((2-(3-(4-(benzyloxy)-3-methoxyphenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate, methyl 4-[(E)-[[3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
| Molecular Formula | C27H24N4O5 |
| Molecular Weight | 484.17468 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 484.17468 Da |
| Heavy Atoms | 36 |
| Complexity | 736.0 |
| SMILES | COC1=C(C=CC(=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)C(=O)OC)OCC4=CC=CC=C4 |
| InChIKey | ZNRLKHNZQBUHDD-LQKURTRISA-N |
The XLogP value of 4.4 indicates that (E)-methyl 4-((2-(3-(4-(benzyloxy)-3-methoxyphenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-((2-(3-(4-(benzyloxy)-3-methoxyphenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-((2-(3-(4-(benzyloxy)-3-methoxyphenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate has 2 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)-methyl 4-((2-(3-(4-(benzyloxy)-3-methoxyphenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate is 1093401-77-4.
The molecular formula of (E)-methyl 4-((2-(3-(4-(benzyloxy)-3-methoxyphenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate is C27H24N4O5.
The molecular weight of (E)-methyl 4-((2-(3-(4-(benzyloxy)-3-methoxyphenyl)-1H-pyrazole-5-carbonyl)hydrazono)methyl)benzoate is 484.17468 g/mol.
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