TL;DR: [2-Azido-3-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enyl] 2,2-dimethylpropanoate (CAS 114275-42-2) is a chemical compound with molecular formula C29H57N3O3Si and molecular weight 523.41693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-azido-3-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enyl] 2,2-dimethylpropanoate
Also Known As: (2S,3R,4E)-2-Azido-3-(tert-butyldimethylsilyl)-1-pivaloyl-erythro-sphingosine, [(E,2S,3R)-2-azido-3-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enyl] 2,2-dimethylpropanoate, [2-azido-3-(dimethyl-tert-butyl-silyl)oxy-octadec-4-enyl] 2,2-dimethylpropanoate, [2-azido-3-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enyl] 2,2-dimethylpropanoate
| Molecular Formula | C29H57N3O3Si |
| Molecular Weight | 523.41693 g/mol |
| XLogP | 9.9023 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 22 |
| Exact Mass | 523.41693 Da |
| Heavy Atoms | 36 |
| Complexity | 674.0 |
| SMILES | CCCCCCCCCCCCCC=CC(C(COC(=O)C(C)(C)C)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C |
| InChIKey | DFUOSUDIKSYZMW-UHFFFAOYSA-N |
The XLogP value of 9.9023 indicates that [2-Azido-3-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enyl] 2,2-dimethylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, [2-Azido-3-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enyl] 2,2-dimethylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-Azido-3-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enyl] 2,2-dimethylpropanoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [2-Azido-3-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enyl] 2,2-dimethylpropanoate is 114275-42-2.
The molecular formula of [2-Azido-3-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enyl] 2,2-dimethylpropanoate is C29H57N3O3Si.
The molecular weight of [2-Azido-3-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enyl] 2,2-dimethylpropanoate is 523.41693 g/mol.
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