TL;DR: 3-(2-(2-Bromoacetamido)acetamido)-proxyl free radical (CAS 100900-13-8) is a chemical compound with molecular formula C12H21BrN3O3 and molecular weight 334.07663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 2-[(2-bromoacetyl)amino]-N-(1-, 3-(2-(2-Bromoacetamido)acetamido)-proxyl free radical, 3-[2-(2-bromoacetamido)acetamide]-PROXYL, 3-[2-(2-Bromoacetamido)acetamide]-PROXYL,free radical, 3-[2-(2-Bromoacetamido)acetamide]-PROXYL, free radical,
| Molecular Formula | C12H21BrN3O3 |
| Molecular Weight | 334.07663 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 62.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.07663 Da |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
| SMILES | CC1(CC(C(N1[O])(C)C)NC(=O)CNC(=O)CBr)C |
| InChIKey | FCOQWAAKZGWIFF-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(2-Bromoacetamido)acetamido)-proxyl free radical. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(2-Bromoacetamido)acetamido)-proxyl free radical. Following Lipinski's Rule of Five, 3-(2-(2-Bromoacetamido)acetamido)-proxyl free radical has 2 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-(2-(2-Bromoacetamido)acetamido)-proxyl free radical is 100900-13-8.
The molecular formula of 3-(2-(2-Bromoacetamido)acetamido)-proxyl free radical is C12H21BrN3O3.
The molecular weight of 3-(2-(2-Bromoacetamido)acetamido)-proxyl free radical is 334.07663 g/mol.
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