1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene
TL;DR: 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene (CAS 40230-95-3) is a chemical compound with molecular formula C12H13F3Si and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[4-(trifluoromethyl)phenyl]ethynyl]silane
Also Known As: 1-[(Trimethylsilyl)ethynyl]-4-(trifluoromethyl)benzene, triMethyl((4-(trifluoroMethyl)phenyl)ethynyl)silane, Trimethyl-[2-[4-(trifluoromethyl)phenyl]ethynyl]silane, [4-(Trifluoromethyl)phenyl](trimethylsilyl)acetylene, 4-(2-Trimethylsilylethynyl)trifluoromethylbenzene
| Molecular Formula | C12H13F3Si |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 3.9343 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.07387 |
| Heavy Atoms | 16 |
| Complexity | 412.79782 |
Chemical Identifiers
| CAS Number | 40230-95-3 |
|---|---|
| SMILES | C[Si](C)(C)C#CC1=CC=C(C=C1)C(F)(F)F |
Product Overview
1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene (CAS 40230-95-3), with molecular formula C12H13F3Si and molecular weight 242.07 g/mol. IUPAC: trimethyl-[2-[4-(trifluoromethyl)phenyl]ethynyl]silane.
Chemical Property Profile of 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene
Property Insights of 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene
The XLogP value of 3.9343 indicates that 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene?
The CAS number of 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene is 40230-95-3.
What is the molecular formula of 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene?
The molecular formula of 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene is C12H13F3Si.
What is the molecular weight of 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene?
The molecular weight of 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene is 242.07 g/mol.
Where can I buy 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene?
You can request a quote for 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-((Trimethylsilyl)ethynyl)-4-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.