![[4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate structure](/static/products/3804/380477-17-8.webp)
[4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate
TL;DR: [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate (CAS 380477-17-8) is a chemical compound with molecular formula C25H17F3N2O3 and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate
Also Known As: [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate|[4-[2-cyano-2-[[2-(trifluoromethyl)phenyl]carbamoyl]ethenyl]phenyl] 4-methylbenzoate|4-(2-cyano-2-{[2-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)phenyl 4-methylbenzoate|4-[(1E)-2-cyano-3-oxo-3-{[2-(trifluoromethyl)phenyl]amino}prop-1-en-1-yl]phenyl 4-methylbenzoate|4-{(E)-2-CYANO-3-OXO-3-[2-(TRIFLUOROMETHYL)ANILINO]-1-PROPENYL}PHENYL 4-METHYLBENZOATE|EN300-26592692
| Molecular Formula | C25H17F3N2O3 |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 5.7787 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.11914 |
| Heavy Atoms | 33 |
| Complexity | 1239.629 |
Chemical Identifiers
| CAS Number | 380477-17-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(F)(F)F |
Product Overview
[4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate (CAS 380477-17-8), with molecular formula C25H17F3N2O3 and molecular weight 450.12 g/mol. IUPAC: [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate.
Chemical Property Profile of [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate
Property Insights of [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate
The XLogP value of 5.7787 indicates that [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate 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 [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate. Following Lipinski's Rule of Five, [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate?
The CAS number of [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate is 380477-17-8.
What is the molecular formula of [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate?
The molecular formula of [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate is C25H17F3N2O3.
What is the molecular weight of [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate?
The molecular weight of [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate is 450.12 g/mol.
Where can I buy [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate?
You can request a quote for [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-enyl]phenyl] 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.