TL;DR: Urea, 1-(2-fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)- (CAS 33024-42-9) is a chemical compound with molecular formula C16H26FN3O2 and molecular weight 311.2009 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)urea
Also Known As: Urea,5,7-trimethyl-1-adamantyl)-, 1-(2-Fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)urea, Urea, 1-(2-fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)-, 1-(2-Fluoroethyl)-1-nitroso-3-(3,5,7-trimethyladamantan-1-yl)urea, Urea,1-(2-fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)
| Molecular Formula | C16H26FN3O2 |
| Molecular Weight | 311.2009 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.2009 Da |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
| SMILES | CC12CC3(CC(C1)(CC(C2)(C3)NC(=O)N(CCF)N=O)C)C |
| InChIKey | ABDNOXBKKCVKEO-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that Urea, 1-(2-fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-(2-fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)-. Following Lipinski's Rule of Five, Urea, 1-(2-fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Urea, 1-(2-fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)- is 33024-42-9.
The molecular formula of Urea, 1-(2-fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)- is C16H26FN3O2.
The molecular weight of Urea, 1-(2-fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)- is 311.2009 g/mol.
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