![Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate structure](/static/products/851/85118-34-9.png)
Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate
TL;DR: Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate (CAS 85118-34-9) is a chemical compound with molecular formula C13H9BrF3NO2 and molecular weight 346.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyanoprop-2-enoate
Also Known As: EINECS 285-688-2, Ethyl 3-(2-bromo-4-(trifluoromethyl)phenyl)-2-cyanoacrylate, Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate, ETHYL 3-[2-BROMO-4-(TRIFLUOROMETHYL)PHENYL]-2-CYANOACRYLATE, ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyanoprop-2-enoate
| Molecular Formula | C13H9BrF3NO2 |
|---|---|
| Molecular Weight | 346.98 g/mol |
| LogP | 3.93798 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.97687 |
| Heavy Atoms | 20 |
| Complexity | 588.2596 |
Chemical Identifiers
| CAS Number | 85118-34-9 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=C(C=C(C=C1)C(F)(F)F)Br)C#N |
Product Overview
Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate (CAS 85118-34-9), with molecular formula C13H9BrF3NO2 and molecular weight 346.98 g/mol. IUPAC: ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate
Property Insights of Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate
The XLogP value of 3.93798 indicates that Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate has 0 hydrogen bond donor(s) and 3 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 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate?
The CAS number of Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate is 85118-34-9.
What is the molecular formula of Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate?
The molecular formula of Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate is C13H9BrF3NO2.
What is the molecular weight of Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate?
The molecular weight of Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate is 346.98 g/mol.
Where can I buy Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate?
You can request a quote for Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyano-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.