TL;DR: 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(4-((trimethylsilyl)ethynyl)phenyl)- (CAS 128023-26-7) is a chemical compound with molecular formula C17H25NO3Si2 and molecular weight 347.1373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[2-[4-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)phenyl]ethynyl]silane
Also Known As: 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(4-((trimethylsilyl)ethynyl)phenyl)-, 1-(4-((Trimethylsilyl)ethynyl)phenyl)-2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 2-Methyl-2-propanyl 4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carbo xylate, trimethyl-[2-[4-(4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecan-5-yl)phenyl]ethynyl]silane, 1-{4-[(Trimethylsilyl)ethynyl]phenyl}-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
| Molecular Formula | C17H25NO3Si2 |
| Molecular Weight | 347.1373 g/mol |
| XLogP | 1.4404 |
| Topological Polar Surface Area (TPSA) | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.1373 Da |
| Heavy Atoms | 23 |
| Complexity | 445.0 |
| SMILES | C[Si](C)(C)C#CC1=CC=C(C=C1)[Si]23OCCN(CCO2)CCO3 |
| InChIKey | BLHIGMFSXHJXKF-UHFFFAOYSA-N |
The XLogP value of 1.4404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(4-((trimethylsilyl)ethynyl)phenyl)-. With a topological polar surface area (TPSA) of 30.9 Ų, 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(4-((trimethylsilyl)ethynyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(4-((trimethylsilyl)ethynyl)phenyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(4-((trimethylsilyl)ethynyl)phenyl)- is 128023-26-7.
The molecular formula of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(4-((trimethylsilyl)ethynyl)phenyl)- is C17H25NO3Si2.
The molecular weight of 2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(4-((trimethylsilyl)ethynyl)phenyl)- is 347.1373 g/mol.
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