TL;DR: N3-Cyclohexyl-N7-(3,4-dichlorophenyl)-2-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide (CAS 1038777-30-8) is a chemical compound with molecular formula C30H37Cl2N3O4 and molecular weight 573.2161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-N-cyclohexyl-6-N-(3,4-dichlorophenyl)-3-(2,3-dimethylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
Also Known As: N3-Cyclohexyl-N7-(3,4-dichlorophenyl)-2-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide
| Molecular Formula | C30H37Cl2N3O4 |
| Molecular Weight | 573.2161 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 573.2161 Da |
| Heavy Atoms | 39 |
| Complexity | 1020.0 |
| SMILES | CC1CCCC(C1C)N2C(C34C=CC(O3)C(C4C2=O)C(=O)NC5=CC(=C(C=C5)Cl)Cl)C(=O)NC6CCCCC6 |
| InChIKey | UUSLFEQSIGRODV-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that N3-Cyclohexyl-N7-(3,4-dichlorophenyl)-2-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N3-Cyclohexyl-N7-(3,4-dichlorophenyl)-2-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide. Following Lipinski's Rule of Five, N3-Cyclohexyl-N7-(3,4-dichlorophenyl)-2-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N3-Cyclohexyl-N7-(3,4-dichlorophenyl)-2-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide is 1038777-30-8.
The molecular formula of N3-Cyclohexyl-N7-(3,4-dichlorophenyl)-2-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide is C30H37Cl2N3O4.
The molecular weight of N3-Cyclohexyl-N7-(3,4-dichlorophenyl)-2-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-3,7-dicarboxamide is 573.2161 g/mol.
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