TL;DR: But-2-enedioic acid--N,N'-[cyclohexane-1,3-diylbis(methylene)]bis[1-(2-chlorophenyl)methanamine] (2/1) (CAS 64011-77-4) is a chemical compound with molecular formula C30H36Cl2N2O8 and molecular weight 622.1849 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(but-2-enedioic acid);N-[(2-chlorophenyl)methyl]-1-[3-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine
Also Known As: But-2-enedioic acid--N,N'-[cyclohexane-1,3-diylbis(methylene)]bis[1-(2-chlorophenyl)methanamine] (2/1)
| Molecular Formula | C30H36Cl2N2O8 |
| Molecular Weight | 622.1849 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 622.1849 Da |
| Heavy Atoms | 42 |
| Complexity | 477.0 |
| SMILES | C1CC(CC(C1)CNCC2=CC=CC=C2Cl)CNCC3=CC=CC=C3Cl.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
| InChIKey | OLEYTRFQBFZKGQ-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that But-2-enedioic acid--N,N'-[cyclohexane-1,3-diylbis(methylene)]bis[1-(2-chlorophenyl)methanamine] (2/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting But-2-enedioic acid--N,N'-[cyclohexane-1,3-diylbis(methylene)]bis[1-(2-chlorophenyl)methanamine] (2/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, But-2-enedioic acid--N,N'-[cyclohexane-1,3-diylbis(methylene)]bis[1-(2-chlorophenyl)methanamine] (2/1) has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of But-2-enedioic acid--N,N'-[cyclohexane-1,3-diylbis(methylene)]bis[1-(2-chlorophenyl)methanamine] (2/1) is 64011-77-4.
The molecular formula of But-2-enedioic acid--N,N'-[cyclohexane-1,3-diylbis(methylene)]bis[1-(2-chlorophenyl)methanamine] (2/1) is C30H36Cl2N2O8.
The molecular weight of But-2-enedioic acid--N,N'-[cyclohexane-1,3-diylbis(methylene)]bis[1-(2-chlorophenyl)methanamine] (2/1) is 622.1849 g/mol.
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