TL;DR: Benzoic acid, 3,5-dinitro-, 2-(4-((4-methyl-1-piperazinyl)carbonyl)phenyl)hydrazide (CAS 137881-87-9) is a chemical compound with molecular formula C19H20N6O6 and molecular weight 428.14444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3,5-dinitrobenzohydrazide
Also Known As: Benzoic acid, 3,5-dinitro-, 2-(4-((4-methyl-1-piperazinyl)carbonyl)phenyl)hydrazide, 3,5-Dinitrobenzoic acid 2-(4-((4-methyl-1-piperazinyl)carbonyl)phenyl)hydrazide, N'-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3,5-dinitrobenzohydrazide
| Molecular Formula | C19H20N6O6 |
| Molecular Weight | 428.14444 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.14444 Da |
| Heavy Atoms | 31 |
| Complexity | 656.0 |
| SMILES | CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WKTQZEFKBGUGEE-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,5-dinitro-, 2-(4-((4-methyl-1-piperazinyl)carbonyl)phenyl)hydrazide. The TPSA of 156.0 Ų indicates high polarity, suggesting Benzoic acid, 3,5-dinitro-, 2-(4-((4-methyl-1-piperazinyl)carbonyl)phenyl)hydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dinitro-, 2-(4-((4-methyl-1-piperazinyl)carbonyl)phenyl)hydrazide 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 Benzoic acid, 3,5-dinitro-, 2-(4-((4-methyl-1-piperazinyl)carbonyl)phenyl)hydrazide is 137881-87-9.
The molecular formula of Benzoic acid, 3,5-dinitro-, 2-(4-((4-methyl-1-piperazinyl)carbonyl)phenyl)hydrazide is C19H20N6O6.
The molecular weight of Benzoic acid, 3,5-dinitro-, 2-(4-((4-methyl-1-piperazinyl)carbonyl)phenyl)hydrazide is 428.14444 g/mol.
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