![ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate structure](/static/products/3384/338422-78-9.webp)
ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate
TL;DR: ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate (CAS 338422-78-9) is a chemical compound with molecular formula C18H16ClF3N2O3S and molecular weight 432.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-(4-methoxyanilino)prop-2-enoate
Also Known As: ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate, ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-methoxyanilino)prop-2-enoate, Ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-[(4-methoxyphenyl)amino]prop-2-enoate, ethyl 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-3-[(4-methoxyphenyl)amino]prop-2-enoate
| Molecular Formula | C18H16ClF3N2O3S |
|---|---|
| Molecular Weight | 432.05 g/mol |
| LogP | 5.3711 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.05222 |
| Heavy Atoms | 28 |
| Complexity | 858.1446 |
Chemical Identifiers
| CAS Number | 338422-78-9 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=C(C=C1)OC)SC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate (CAS 338422-78-9), with molecular formula C18H16ClF3N2O3S and molecular weight 432.05 g/mol. IUPAC: ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-(4-methoxyanilino)prop-2-enoate.
Chemical Property Profile of ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate
Property Insights of ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate
The XLogP value of 5.3711 indicates that ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate. Following Lipinski's Rule of Five, ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate?
The CAS number of ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate is 338422-78-9.
What is the molecular formula of ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate?
The molecular formula of ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate is C18H16ClF3N2O3S.
What is the molecular weight of ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate?
The molecular weight of ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate is 432.05 g/mol.
Where can I buy ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate?
You can request a quote for ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-methoxyanilino)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.