![ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate structure](/static/products/4778/477870-90-9.webp)
ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate
TL;DR: ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate (CAS 477870-90-9) is a chemical compound with molecular formula C17H16F3NO2 and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinylidene]acetate
Also Known As: 1R-0139, ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate, ethyl (2E)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-ylidene]acetate, ethyl 2-[(2E)-1-{[4-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridin-2-ylidene]acetate
| Molecular Formula | C17H16F3NO2 |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 4.0379 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.1133 |
| Heavy Atoms | 23 |
| Complexity | 642.7975 |
Chemical Identifiers
| CAS Number | 477870-90-9 |
|---|---|
| SMILES | CCOC(=O)/C=C/1\C=CC=CN1CC2=CC=C(C=C2)C(F)(F)F |
Product Overview
ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate (CAS 477870-90-9), with molecular formula C17H16F3NO2 and molecular weight 323.11 g/mol. IUPAC: ethyl (2E)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinylidene]acetate.
Chemical Property Profile of ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate
Property Insights of ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate
The XLogP value of 4.0379 indicates that ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate 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 ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate?
The CAS number of ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate is 477870-90-9.
What is the molecular formula of ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate?
The molecular formula of ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate is C17H16F3NO2.
What is the molecular weight of ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate?
The molecular weight of ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate is 323.11 g/mol.
Where can I buy ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate?
You can request a quote for ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[1-[4-(trifluoromethyl)benzyl]-2(1H)-pyridinyliden]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.