TL;DR: [(2,4-Diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)amino]urea (CAS 1005072-57-0) is a chemical compound with molecular formula C21H24N4O and molecular weight 348.195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)amino]urea
Also Known As: [(2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)amino]urea|[(6,8-diphenyl-7-azabicyclo[3.3.1]non-9-ylidene)amino]urea|(Z)-2-((2R,4S)-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)hydrazinecarboxamide|MLS000780039|CHEMBL1486015|SMR000420222
| Molecular Formula | C21H24N4O |
| Molecular Weight | 348.195 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 79.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.195 Da |
| Heavy Atoms | 26 |
| Complexity | 488.0 |
| SMILES | C1CC2C(NC(C(C1)C2=NNC(=O)N)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | BNJXNKFPPJGIBR-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2,4-Diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)amino]urea. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2,4-Diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)amino]urea. Following Lipinski's Rule of Five, [(2,4-Diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)amino]urea has 3 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 [(2,4-Diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)amino]urea is 1005072-57-0.
The molecular formula of [(2,4-Diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)amino]urea is C21H24N4O.
The molecular weight of [(2,4-Diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene)amino]urea is 348.195 g/mol.
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