![methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate structure](/static/products/629/62985-29-9.png)
methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
TL;DR: methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate (CAS 62985-29-9) is a chemical compound with molecular formula C12H8F3NO2 and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
Also Known As: J2.993.949G, (E)-methyl 2-cyano-3-(3-(trifluoromethyl)phenyl)acrylate, methyl 2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate, alpha-Cyano-3-(trifluoromethyl)benzeneacrylic acid methyl ester, methyl (E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
| Molecular Formula | C12H8F3NO2 |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 2.78538 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.05072 |
| Heavy Atoms | 18 |
| Complexity | 526.85944 |
Chemical Identifiers
| CAS Number | 62985-29-9 |
|---|---|
| SMILES | COC(=O)/C(=C/C1=CC(=CC=C1)C(F)(F)F)/C#N |
Product Overview
methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate (CAS 62985-29-9), with molecular formula C12H8F3NO2 and molecular weight 255.05 g/mol. IUPAC: methyl (E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate.
Chemical Property Profile of methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
Property Insights of methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
The XLogP value of 2.78538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate. With a topological polar surface area (TPSA) of 50.09 Ų, methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate 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 methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The CAS number of methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate is 62985-29-9.
What is the molecular formula of methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The molecular formula of methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate is C12H8F3NO2.
What is the molecular weight of methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
The molecular weight of methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate is 255.05 g/mol.
Where can I buy methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
You can request a quote for methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-2-cyano-3-[3-(trifluoromethyl)phenyl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.