TL;DR: 3,5-Dinitrobenzoic acid 2-(4-((4-(3-methylphenyl)-1-piperazinyl)carbonyl)phenyl)hydrazide (CAS 137881-89-1) is a chemical compound with molecular formula C25H24N6O6 and molecular weight 504.17572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,5-dinitrobenzohydrazide
Also Known As: 3,5-Dinitrobenzoic acid 2-(4-((4-(3-methylphenyl)-1-piperazinyl)carbonyl)phenyl)hydrazide, Benzoic acid, 3,5-dinitro-, 2-(4-((4-(3-methylphenyl)-1-piperazinyl)carbonyl)phenyl)hydrazide, N'-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,5-dinitrobenzohydrazide, N-[4-[4-(3-METHYLPHENYL)PIPERAZINE-1-CARBONYL]PHENYL]-3,5-DINITRO-BENZOHYDRAZIDE, N-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl]-3,5-dinitrobenzohydrazide
| Molecular Formula | C25H24N6O6 |
| Molecular Weight | 504.17572 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.17572 Da |
| Heavy Atoms | 37 |
| Complexity | 809.0 |
| SMILES | CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NNC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | VEXTYGSYVICCLS-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 3,5-Dinitrobenzoic acid 2-(4-((4-(3-methylphenyl)-1-piperazinyl)carbonyl)phenyl)hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting 3,5-Dinitrobenzoic acid 2-(4-((4-(3-methylphenyl)-1-piperazinyl)carbonyl)phenyl)hydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Dinitrobenzoic acid 2-(4-((4-(3-methylphenyl)-1-piperazinyl)carbonyl)phenyl)hydrazide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,5-Dinitrobenzoic acid 2-(4-((4-(3-methylphenyl)-1-piperazinyl)carbonyl)phenyl)hydrazide is 137881-89-1.
The molecular formula of 3,5-Dinitrobenzoic acid 2-(4-((4-(3-methylphenyl)-1-piperazinyl)carbonyl)phenyl)hydrazide is C25H24N6O6.
The molecular weight of 3,5-Dinitrobenzoic acid 2-(4-((4-(3-methylphenyl)-1-piperazinyl)carbonyl)phenyl)hydrazide is 504.17572 g/mol.
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