![ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate structure](/static/products/3452/345243-65-4.webp)
ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
TL;DR: ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate (CAS 345243-65-4) is a chemical compound with molecular formula C24H16ClF3N2O4 and molecular weight 488.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
Also Known As: ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate, ethyl 4-[5-(2-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-2-cyanoeth-1-en-1-yl)furan-2-yl]benzoate, Ethyl 4-[5-[2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-2-cyano-ethenyl]-2-furyl]benzoate
| Molecular Formula | C24H16ClF3N2O4 |
|---|---|
| Molecular Weight | 488.08 g/mol |
| LogP | 6.34118 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.07507 |
| Heavy Atoms | 34 |
| Complexity | 1288.7822 |
Chemical Identifiers
| CAS Number | 345243-65-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl |
Product Overview
ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate (CAS 345243-65-4), with molecular formula C24H16ClF3N2O4 and molecular weight 488.08 g/mol. IUPAC: ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate.
Chemical Property Profile of ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
Property Insights of ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
The XLogP value of 6.34118 indicates that ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.33 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
The CAS number of ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate is 345243-65-4.
What is the molecular formula of ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
The molecular formula of ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate is C24H16ClF3N2O4.
What is the molecular weight of ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
The molecular weight of ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate is 488.08 g/mol.
Where can I buy ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
You can request a quote for ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[5-[(E)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.