![Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate structure](/static/products/324/32458-20-1.png)
Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate
TL;DR: Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate (CAS 32458-20-1) is a chemical compound with molecular formula C12H6F7NO2 and molecular weight 329.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate
Also Known As: Heptafluor-p-tolylcyanessigester, ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate, J1.366.798E, ethyl 2-cyano-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate, ethyl 2-cyano-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phen
| Molecular Formula | C12H6F7NO2 |
|---|---|
| Molecular Weight | 329.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.0287 |
| Heavy Atoms | 22 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 32458-20-1 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F |
| InChIKey | BEHZAAUZNUYAIK-UHFFFAOYSA-N |
Product Overview
Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate (CAS 32458-20-1), with molecular formula C12H6F7NO2 and molecular weight 329.03 g/mol. IUPAC: ethyl 2-cyano-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate.
Chemical Property Profile of Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate
Property Insights of Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate
The XLogP value of 3.4 indicates that Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate has 0 hydrogen bond donor(s) and 10 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 Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate?
The CAS number of Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate is 32458-20-1.
What is the molecular formula of Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate?
The molecular formula of Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate is C12H6F7NO2.
What is the molecular weight of Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate?
The molecular weight of Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate is 329.03 g/mol.
Where can I buy Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate?
You can request a quote for Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cyano[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.