TL;DR: 1,4-Cyclohexanedicarboxamide, N,N'-bis(2-chlorobenzyl)-, dihydrochloride, (E)- (CAS 7289-21-6) is a chemical compound with molecular formula C22H26Cl4N2O2 and molecular weight 490.07483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N,4-N-bis[(2-chlorophenyl)methyl]cyclohexane-1,4-dicarboxamide;dihydrochloride
Also Known As: (trans)-N,N'-Bis(2-chlorobenzyl)-1,4-cyclohexanedicarboxamide dihydrochloride, 1,4-Cyclohexanedicarboxamide, N,N'-bis(2-chlorobenzyl)-, dihydrochloride, (E)-, n,n'-bis(2-chlorobenzyl)cyclohexane-1,4-dicarboxamide dihydrochloride, 1-N,4-N-bis[(2-chlorophenyl)methyl]cyclohexane-1,4-dicarboxamide dihydrochloride, N1,N4-bis[(2-chlorophenyl)methyl]cyclohexane-1,4-dicarboxamide dihydrochloride
| Molecular Formula | C22H26Cl4N2O2 |
| Molecular Weight | 490.07483 g/mol |
| XLogP | 5.58 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.0719 Da |
| Heavy Atoms | 30 |
| Complexity | 477.0 |
| SMILES | C1CC(CCC1C(=O)NCC2=CC=CC=C2Cl)C(=O)NCC3=CC=CC=C3Cl.Cl.Cl |
| InChIKey | XKZLLDQKULUMEB-UHFFFAOYSA-N |
The XLogP value of 5.58 indicates that 1,4-Cyclohexanedicarboxamide, N,N'-bis(2-chlorobenzyl)-, dihydrochloride, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 1,4-Cyclohexanedicarboxamide, N,N'-bis(2-chlorobenzyl)-, dihydrochloride, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Cyclohexanedicarboxamide, N,N'-bis(2-chlorobenzyl)-, dihydrochloride, (E)- has 4 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,4-Cyclohexanedicarboxamide, N,N'-bis(2-chlorobenzyl)-, dihydrochloride, (E)- is 7289-21-6.
The molecular formula of 1,4-Cyclohexanedicarboxamide, N,N'-bis(2-chlorobenzyl)-, dihydrochloride, (E)- is C22H26Cl4N2O2.
The molecular weight of 1,4-Cyclohexanedicarboxamide, N,N'-bis(2-chlorobenzyl)-, dihydrochloride, (E)- is 490.07483 g/mol.
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