![{3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide structure](/static/products/6464/646497-93-0.webp)
{3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide
TL;DR: {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide (CAS 646497-93-0) is a chemical compound with molecular formula C17H20BrF6N and molecular weight 431.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl-triethylazanium bromide
Also Known As: {3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide, {3-[3,5-bis(trifluoromethyl)phenyl]prop-2-yn-1-yl}triethylazanium bromide, 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl-triethyl-azanium Bromide, 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl-triethylazanium bromide, 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl-triethylazanium;bromide
| Molecular Formula | C17H20BrF6N |
|---|---|
| Molecular Weight | 431.07 g/mol |
| LogP | 1.9562 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.06833 |
| Heavy Atoms | 25 |
| Complexity | 580.2264 |
Chemical Identifiers
| CAS Number | 646497-93-0 |
|---|---|
| SMILES | CC[N+](CC)(CC)CC#CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F.[Br-] |
Product Overview
{3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide (CAS 646497-93-0), with molecular formula C17H20BrF6N and molecular weight 431.07 g/mol. IUPAC: 3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl-triethylazanium bromide.
Chemical Property Profile of {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide
Property Insights of {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide
The XLogP value of 1.9562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide. With a topological polar surface area (TPSA) of 0.0 Ų, {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide 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 {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide?
The CAS number of {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide is 646497-93-0.
What is the molecular formula of {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide?
The molecular formula of {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide is C17H20BrF6N.
What is the molecular weight of {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide?
The molecular weight of {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide is 431.07 g/mol.
Where can I buy {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide?
You can request a quote for {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide?
Yes, KEHONG BIO provides custom synthesis services for {3-[3,5-Di(trifluoromethyl)phenyl]prop-2-ynyl}(triethyl)ammonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.