TL;DR: N,N'-Bis(1-nitro-9-acridinyl)-(4,4'-bipiperidine)-1,1'-diethanamine (CAS 123219-88-5) is a chemical compound with molecular formula C40H42N8O4 and molecular weight 698.3329 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitro-N-[2-[4-[1-[2-[(1-nitroacridin-9-yl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine
Also Known As: 1-(4'-Nitrophenyl)-2-propen-1-ol, N,N'-Bis(1-nitro-9-acridinyl)-(4,4'-bipiperidine)-1,1'-diethanamine, 1-nitro-N-[2-[4-[1-[2-[(1-nitroacridin-9-yl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]acridin-9-amine, [4,4'-Bipiperidine]-1,1'-diethanamine,N,N'-bis(1-nitro-9-acridinyl)- (9CI), N,N'-([4,4'-Bipiperidine]-1,1'-diylbis(ethane-2,1-diyl))bis(1-nitroacridin-9-amine)
| Molecular Formula | C40H42N8O4 |
| Molecular Weight | 698.3329 g/mol |
| XLogP | 8.0 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 698.3329 Da |
| Heavy Atoms | 52 |
| Complexity | 1100.0 |
| SMILES | C1CN(CCC1C2CCN(CC2)CCNC3=C4C(=NC5=CC=CC=C53)C=CC=C4[N+](=O)[O-])CCNC6=C7C(=NC8=CC=CC=C86)C=CC=C7[N+](=O)[O-] |
| InChIKey | IKLMKVWHNHEAMG-UHFFFAOYSA-N |
The XLogP value of 8.0 indicates that N,N'-Bis(1-nitro-9-acridinyl)-(4,4'-bipiperidine)-1,1'-diethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting N,N'-Bis(1-nitro-9-acridinyl)-(4,4'-bipiperidine)-1,1'-diethanamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-Bis(1-nitro-9-acridinyl)-(4,4'-bipiperidine)-1,1'-diethanamine has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N,N'-Bis(1-nitro-9-acridinyl)-(4,4'-bipiperidine)-1,1'-diethanamine is 123219-88-5.
The molecular formula of N,N'-Bis(1-nitro-9-acridinyl)-(4,4'-bipiperidine)-1,1'-diethanamine is C40H42N8O4.
The molecular weight of N,N'-Bis(1-nitro-9-acridinyl)-(4,4'-bipiperidine)-1,1'-diethanamine is 698.3329 g/mol.
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