TL;DR: (E)-4-(2-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)-N-(4-methoxyphenyl)-4-oxobutanamide (CAS 1008883-19-9) is a chemical compound with molecular formula C22H22ClN5O3 and molecular weight 439.1411 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
Also Known As: (E)-4-(2-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)-N-(4-methoxyphenyl)-4-oxobutanamide, 4-{(2E)-2-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl}-N-(4-methoxyphenyl)-4-oxobutanamide, N'-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-N-(4-methoxyphenyl)butanediamide, N'-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
| Molecular Formula | C22H22ClN5O3 |
| Molecular Weight | 439.1411 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.1411 Da |
| Heavy Atoms | 31 |
| Complexity | 620.0 |
| SMILES | CC1=NN(C(=C1/C=N/NC(=O)CCC(=O)NC2=CC=C(C=C2)OC)Cl)C3=CC=CC=C3 |
| InChIKey | HDBZRFHSXXHBDS-ZVHZXABRSA-N |
The XLogP value of 3.2 indicates that (E)-4-(2-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)-N-(4-methoxyphenyl)-4-oxobutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(2-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)-N-(4-methoxyphenyl)-4-oxobutanamide. Following Lipinski's Rule of Five, (E)-4-(2-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)-N-(4-methoxyphenyl)-4-oxobutanamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-4-(2-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)-N-(4-methoxyphenyl)-4-oxobutanamide is 1008883-19-9.
The molecular formula of (E)-4-(2-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)-N-(4-methoxyphenyl)-4-oxobutanamide is C22H22ClN5O3.
The molecular weight of (E)-4-(2-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)-N-(4-methoxyphenyl)-4-oxobutanamide is 439.1411 g/mol.
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