![ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate structure](/static/products/3391/339106-87-5.webp)
ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate
TL;DR: ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate (CAS 339106-87-5) is a chemical compound with molecular formula C19H13ClF3N3O4 and molecular weight 439.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-cyano-2-oxobut-3-enoate
Also Known As: ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate, ethyl 4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-3-cyano-2-oxo-3-butenoate, Ethyl 4-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]amino]-3-cyano-2-oxo-but-3-enoate
| Molecular Formula | C19H13ClF3N3O4 |
|---|---|
| Molecular Weight | 439.05 g/mol |
| LogP | 4.49768 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.05466 |
| Heavy Atoms | 30 |
| Complexity | 1015.16516 |
Chemical Identifiers
| CAS Number | 339106-87-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)C(=CNC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)C#N |
Product Overview
ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate (CAS 339106-87-5), with molecular formula C19H13ClF3N3O4 and molecular weight 439.05 g/mol. IUPAC: ethyl 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-cyano-2-oxobut-3-enoate.
Chemical Property Profile of ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate
Property Insights of ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate
The XLogP value of 4.49768 indicates that ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate. Following Lipinski's Rule of Five, ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate has 1 hydrogen bond donor(s) and 7 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 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate?
The CAS number of ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate is 339106-87-5.
What is the molecular formula of ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate?
The molecular formula of ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate is C19H13ClF3N3O4.
What is the molecular weight of ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate?
The molecular weight of ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate is 439.05 g/mol.
Where can I buy ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate?
You can request a quote for ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-cyano-2-oxobut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.