TL;DR: 3-(Cyclohexylmethyl)-1-(4-aminophenyl)-3-azabicyclo(3.1.0)hexane-2,4-dione (CAS 133986-32-0) is a chemical compound with molecular formula C18H22N2O2 and molecular weight 298.16812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-aminophenyl)-3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
Also Known As: 3-Capabh, 3-(Cyclohexylmethyl)-1-(4-aminophenyl)-3-azabicyclo(3.1.0)hexane-2,4-dione, 1-(4-aminophenyl)-3-(cyclohexylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione, 3-Azabicyclo[3.1.0]hexane-2,4-dione,1-(4-aminophenyl)-3-(cyclohexylmethyl)-, 1-(4-Aminophenyl)-3-cyclohexylmethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H22N2O2 |
| Molecular Weight | 298.16812 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.16812 Da |
| Heavy Atoms | 22 |
| Complexity | 477.0 |
| SMILES | C1CCC(CC1)CN2C(=O)C3CC3(C2=O)C4=CC=C(C=C4)N |
| InChIKey | WUHIUYRMTKSZGJ-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Cyclohexylmethyl)-1-(4-aminophenyl)-3-azabicyclo(3.1.0)hexane-2,4-dione. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Cyclohexylmethyl)-1-(4-aminophenyl)-3-azabicyclo(3.1.0)hexane-2,4-dione. Following Lipinski's Rule of Five, 3-(Cyclohexylmethyl)-1-(4-aminophenyl)-3-azabicyclo(3.1.0)hexane-2,4-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(Cyclohexylmethyl)-1-(4-aminophenyl)-3-azabicyclo(3.1.0)hexane-2,4-dione is 133986-32-0.
The molecular formula of 3-(Cyclohexylmethyl)-1-(4-aminophenyl)-3-azabicyclo(3.1.0)hexane-2,4-dione is C18H22N2O2.
The molecular weight of 3-(Cyclohexylmethyl)-1-(4-aminophenyl)-3-azabicyclo(3.1.0)hexane-2,4-dione is 298.16812 g/mol.
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