TL;DR: 1-[1,1-Bis(1H-1,2,3-benzotriazol-1-yl)-2-phenyl-2-[(trimethylsilyl)oxy]ethyl]-1H-1,2,3-benzotriazole (CAS 130749-21-2) is a chemical compound with molecular formula C29H27N9OSi and molecular weight 545.21075 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[2,2,2-tris(benzotriazol-1-yl)-1-phenylethoxy]silane
Also Known As: 1-[1,1-Bis(1H-1,2,3-benzotriazol-1-yl)-2-phenyl-2-[(trimethylsilyl)oxy]ethyl]-1H-1,2,3-benzotriazole, trimethyl-[2,2,2-tris(benzotriazol-1-yl)-1-phenylethoxy]silane, Trimethyl-(2,2,2-tribenzotriazol-1-yl-1-phenyl-ethoxy)silane, trimethyl-[2,2,2-tris(benzotriazol-1-yl)-1-phenyl-ethoxy]silane, 1-Phenyl-1-(trimethylsilyl)oxy-2,2,2-tris(1H-benzotriazol-1-yl)ethane
| Molecular Formula | C29H27N9OSi |
| Molecular Weight | 545.21075 g/mol |
| XLogP | 5.2204 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.21075 Da |
| Heavy Atoms | 40 |
| Complexity | 790.0 |
| SMILES | C[Si](C)(C)OC(C1=CC=CC=C1)C(N2C3=CC=CC=C3N=N2)(N4C5=CC=CC=C5N=N4)N6C7=CC=CC=C7N=N6 |
| InChIKey | UWHKHYMGBXXOKB-UHFFFAOYSA-N |
The XLogP value of 5.2204 indicates that 1-[1,1-Bis(1H-1,2,3-benzotriazol-1-yl)-2-phenyl-2-[(trimethylsilyl)oxy]ethyl]-1H-1,2,3-benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1,1-Bis(1H-1,2,3-benzotriazol-1-yl)-2-phenyl-2-[(trimethylsilyl)oxy]ethyl]-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-[1,1-Bis(1H-1,2,3-benzotriazol-1-yl)-2-phenyl-2-[(trimethylsilyl)oxy]ethyl]-1H-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-[1,1-Bis(1H-1,2,3-benzotriazol-1-yl)-2-phenyl-2-[(trimethylsilyl)oxy]ethyl]-1H-1,2,3-benzotriazole is 130749-21-2.
The molecular formula of 1-[1,1-Bis(1H-1,2,3-benzotriazol-1-yl)-2-phenyl-2-[(trimethylsilyl)oxy]ethyl]-1H-1,2,3-benzotriazole is C29H27N9OSi.
The molecular weight of 1-[1,1-Bis(1H-1,2,3-benzotriazol-1-yl)-2-phenyl-2-[(trimethylsilyl)oxy]ethyl]-1H-1,2,3-benzotriazole is 545.21075 g/mol.
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