![ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate structure](/static/products/3389/338966-62-4.webp)
ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate
TL;DR: ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate (CAS 338966-62-4) is a chemical compound with molecular formula C17H13Cl2F3N2O2S and molecular weight 436.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chloroanilino)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]prop-2-enoate
Also Known As: ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate, ethyl 3-(4-chloroanilino)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylprop-2-enoate, Ethyl 3-[(4-chlorophenyl)amino]-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-prop-2-enoate
| Molecular Formula | C17H13Cl2F3N2O2S |
|---|---|
| Molecular Weight | 436.00 g/mol |
| LogP | 6.0159 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.0027 |
| Heavy Atoms | 27 |
| Complexity | 843.06244 |
Chemical Identifiers
| CAS Number | 338966-62-4 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=C(C=C1)Cl)SC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate (CAS 338966-62-4), with molecular formula C17H13Cl2F3N2O2S and molecular weight 436.00 g/mol. IUPAC: ethyl 3-(4-chloroanilino)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]prop-2-enoate.
Chemical Property Profile of ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate
Property Insights of ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate
The XLogP value of 6.0159 indicates that ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate 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 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate?
The CAS number of ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate is 338966-62-4.
What is the molecular formula of ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate?
The molecular formula of ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate is C17H13Cl2F3N2O2S.
What is the molecular weight of ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate?
The molecular weight of ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate is 436.00 g/mol.
Where can I buy ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate?
You can request a quote for ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(4-chloroanilino)-2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.