TL;DR: Benzoic acid, 3,5-dinitro-, 2-(4-((diethylamino)carbonyl)phenyl)hydrazide (CAS 137881-93-7) is a chemical compound with molecular formula C18H19N5O6 and molecular weight 401.13354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(3,5-dinitrobenzoyl)hydrazinyl]-N,N-diethylbenzamide
Also Known As: Benzoic acid, 3,5-dinitro-, 2-(4-((diethylamino)carbonyl)phenyl)hydrazide, 3,5-Dinitrobenzoic acid 2-(4-((diethylamino)carbonyl)phenyl)hydrazide, 4-[2-(3,5-dinitrobenzoyl)hydrazinyl]-N,N-diethylbenzamide, 4-[2-(3,5-Dinitrobenzoyl)hydrazin-1-yl]-N,N-diethylbenzamide
| Molecular Formula | C18H19N5O6 |
| Molecular Weight | 401.13354 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.13354 Da |
| Heavy Atoms | 29 |
| Complexity | 585.0 |
| SMILES | CCN(CC)C(=O)C1=CC=C(C=C1)NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PIJLSHWHXPTMNY-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,5-dinitro-, 2-(4-((diethylamino)carbonyl)phenyl)hydrazide. The TPSA of 153.0 Ų indicates high polarity, suggesting Benzoic acid, 3,5-dinitro-, 2-(4-((diethylamino)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-((diethylamino)carbonyl)phenyl)hydrazide 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 Benzoic acid, 3,5-dinitro-, 2-(4-((diethylamino)carbonyl)phenyl)hydrazide is 137881-93-7.
The molecular formula of Benzoic acid, 3,5-dinitro-, 2-(4-((diethylamino)carbonyl)phenyl)hydrazide is C18H19N5O6.
The molecular weight of Benzoic acid, 3,5-dinitro-, 2-(4-((diethylamino)carbonyl)phenyl)hydrazide is 401.13354 g/mol.
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