N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane
TL;DR: N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane (CAS 133226-16-1) is a chemical compound with molecular formula C20H18N6O10 and molecular weight 502.10843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(1R,2R)-2-[(3,5-dinitrobenzoyl)amino]cyclohexyl]-3,5-dinitrobenzamide
Also Known As: Dach-dnb, N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane, N,N/'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane, N-[(1R,2R)-2-[(3,5-dinitrobenzoyl)amino]cyclohexyl]-3,5-dinitrobenzamide, Benzamide, N,N'-1,2-cyclohexanediylbis(3,5-dinitro-, trans-
Technical Specifications
| Molecular Formula | C20H18N6O10 |
| Molecular Weight | 502.10843 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 241.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.10843 Da |
| Heavy Atoms | 36 |
| Complexity | 777.0 |
| SMILES | C1CC[C@H]([C@@H](C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | OAYUEHJARDXAEF-QZTJIDSGSA-N |
Chemical Property Profile of N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane
Property Insights of N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane. The TPSA of 241.0 Ų indicates high polarity, suggesting N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane?
The CAS number of N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane is 133226-16-1.
What is the molecular formula of N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane?
The molecular formula of N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane is C20H18N6O10.
What is the molecular weight of N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane?
The molecular weight of N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane is 502.10843 g/mol.
Where can I buy N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane?
You can request a quote for N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane?
Yes, CoreyChem provides custom synthesis services for N,N'-(3,5-Dinitrobenzoyl)-1,2-diaminocyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.