TL;DR: 6-bromo-N-(tert-butyl)-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxamide (CAS 1005154-88-0) is a chemical compound with molecular formula C14H22Br3NO and molecular weight 456.92514 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-bromo-N-tert-butyl-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxamide
Also Known As: 6-bromo-N-(tert-butyl)-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxamide, AF-399/42177332, [4-(dibromomethyl)-6-bromo-5,5-dimethylbicyclo[2.1.1]hexyl]-N-(tert-butyl)carb oxamide, 6-bromo-N-tert-butyl-1-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane-4-carboxamide, 6-bromo-N-tert-butyl-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxamide
| Molecular Formula | C14H22Br3NO |
| Molecular Weight | 456.92514 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.92514 Da |
| Heavy Atoms | 19 |
| Complexity | 415.0 |
| SMILES | CC1(C2(CCC1(C2Br)C(=O)NC(C)(C)C)C(Br)Br)C |
| InChIKey | VJSQZSFNIPMTTB-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 6-bromo-N-(tert-butyl)-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 6-bromo-N-(tert-butyl)-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-bromo-N-(tert-butyl)-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxamide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-bromo-N-(tert-butyl)-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxamide is 1005154-88-0.
The molecular formula of 6-bromo-N-(tert-butyl)-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxamide is C14H22Br3NO.
The molecular weight of 6-bromo-N-(tert-butyl)-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxamide is 456.92514 g/mol.
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