TL;DR: Bicyclo[2.1.1]hexane-1-carboxamide, 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-[4-(2-phenyldiazenyl)phenyl]- (CAS 1025126-11-7) is a chemical compound with molecular formula C22H22Br3N3O and molecular weight 580.9313 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-(4-phenyldiazenylphenyl)bicyclo[2.1.1]hexane-1-carboxamide
Also Known As: Bicyclo[2.1.1]hexane-1-carboxamide, 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-[4-(2-phenyldiazenyl)phenyl]-, 6-bromo-1-(dibromomethyl)-5,5-dimethyl-N-(4-phenyldiazenylphenyl)bicyclo[2.1.1]hexane-4-carboxamide
| Molecular Formula | C22H22Br3N3O |
| Molecular Weight | 580.9313 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 53.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 580.9313 Da |
| Heavy Atoms | 29 |
| Complexity | 656.0 |
| SMILES | CC1(C2(CCC1(C2Br)C(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4)C(Br)Br)C |
| InChIKey | NBQDKCSPKLVTEZ-UHFFFAOYSA-N |
The XLogP value of 6.7 indicates that Bicyclo[2.1.1]hexane-1-carboxamide, 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-[4-(2-phenyldiazenyl)phenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.8 Ų, Bicyclo[2.1.1]hexane-1-carboxamide, 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-[4-(2-phenyldiazenyl)phenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.1.1]hexane-1-carboxamide, 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-[4-(2-phenyldiazenyl)phenyl]- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bicyclo[2.1.1]hexane-1-carboxamide, 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-[4-(2-phenyldiazenyl)phenyl]- is 1025126-11-7.
The molecular formula of Bicyclo[2.1.1]hexane-1-carboxamide, 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-[4-(2-phenyldiazenyl)phenyl]- is C22H22Br3N3O.
The molecular weight of Bicyclo[2.1.1]hexane-1-carboxamide, 6-bromo-4-(dibromomethyl)-5,5-dimethyl-N-[4-(2-phenyldiazenyl)phenyl]- is 580.9313 g/mol.
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