![methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate structure](/static/products/877/877962-50-0.png)
methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate
TL;DR: methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate (CAS 877962-50-0) is a chemical compound with molecular formula C19H13F3N2O3 and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate
Also Known As: methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate, methyl 4-(2-cyano-2-{[2-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)benzoate
| Molecular Formula | C19H13F3N2O3 |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 4.03768 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.08783 |
| Heavy Atoms | 27 |
| Complexity | 926.4514 |
Chemical Identifiers
| CAS Number | 877962-50-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(F)(F)F |
Product Overview
methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate (CAS 877962-50-0), with molecular formula C19H13F3N2O3 and molecular weight 374.09 g/mol. IUPAC: methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate.
Chemical Property Profile of methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate
Property Insights of methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate
The XLogP value of 4.03768 indicates that methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate has 1 hydrogen bond donor(s) and 4 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 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate?
The CAS number of methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate is 877962-50-0.
What is the molecular formula of methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate?
The molecular formula of methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate is C19H13F3N2O3.
What is the molecular weight of methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate?
The molecular weight of methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate is 374.09 g/mol.
Where can I buy methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate?
You can request a quote for methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.