TL;DR: 1-Piperidinepropanamide, N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-, dihydrochloride (CAS 126706-33-0) is a chemical compound with molecular formula C30H38Cl2N4O4 and molecular weight 588.227 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[9,10-dioxo-4-(3-piperidin-1-ylpropanoylamino)anthracen-1-yl]-3-piperidin-1-ylpropanamide;dihydrochloride
Also Known As: 1-Piperidinepropanamide, N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-, dihydrochloride, N,N'-(9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl)bis[3-(piperidin-1-yl)propanamide]--hydrogen chloride (1/2), N-[9,10-dioxo-4-(3-piperidin-1-ylpropanoylamino)anthracen-1-yl]-3-piperidin-1-ylpropanamide dihydrochloride
| Molecular Formula | C30H38Cl2N4O4 |
| Molecular Weight | 588.227 g/mol |
| XLogP | 4.9346 |
| Topological Polar Surface Area (TPSA) | 98.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 588.227 Da |
| Heavy Atoms | 40 |
| Complexity | 796.0 |
| SMILES | C1CCN(CC1)CCC(=O)NC2=C3C(=C(C=C2)NC(=O)CCN4CCCCC4)C(=O)C5=CC=CC=C5C3=O.Cl.Cl |
| InChIKey | HRTOQMGIOPZHFA-UHFFFAOYSA-N |
The XLogP value of 4.9346 indicates that 1-Piperidinepropanamide, N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperidinepropanamide, N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-, dihydrochloride. Following Lipinski's Rule of Five, 1-Piperidinepropanamide, N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-, dihydrochloride has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Piperidinepropanamide, N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-, dihydrochloride is 126706-33-0.
The molecular formula of 1-Piperidinepropanamide, N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-, dihydrochloride is C30H38Cl2N4O4.
The molecular weight of 1-Piperidinepropanamide, N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-, dihydrochloride is 588.227 g/mol.
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