![Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate structure](/static/products/870/87087-35-2.png)
Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate
TL;DR: Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate (CAS 87087-35-2) is a chemical compound with molecular formula C11H9F3O2 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
Also Known As: Methyl 3-(3-(trifluoromethyl)phenyl)acrylate, 3-(Trifluoromethyl)cinnamic acid methyl ester, Cinacalcet Impurity 96, Cinacalcet Impurity 101, ghl.PD_Mitscher_leg0.718
| Molecular Formula | C11H9F3O2 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.8916 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.05547 |
| Heavy Atoms | 16 |
| Complexity | 407.93585 |
Chemical Identifiers
| CAS Number | 87087-35-2 |
|---|---|
| SMILES | COC(=O)/C=C/C1=CC(=CC=C1)C(F)(F)F |
Product Overview
Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate (CAS 87087-35-2), with molecular formula C11H9F3O2 and molecular weight 230.06 g/mol. IUPAC: methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate.
Chemical Property Profile of Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate
Property Insights of Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate
The XLogP value of 2.8916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate has 0 hydrogen bond donor(s) and 2 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 Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate?
The CAS number of Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate is 87087-35-2.
What is the molecular formula of Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate?
The molecular formula of Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate is C11H9F3O2.
What is the molecular weight of Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate?
The molecular weight of Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate is 230.06 g/mol.
Where can I buy Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate?
You can request a quote for Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2E)-3-[3-(trifluoromethyl)phenyl]-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.