![ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate structure](/static/products/3389/338966-83-9.webp)
ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate
TL;DR: ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate (CAS 338966-83-9) is a chemical compound with molecular formula C17H13ClF3IN2O2S and molecular weight 527.94 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-iodoanilino)prop-2-enoate
Also Known As: ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate, ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-(4-iodoanilino)acrylate, Ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-[(4-iodophenyl)amino]prop-2-enoate
| Molecular Formula | C17H13ClF3IN2O2S |
|---|---|
| Molecular Weight | 527.94 g/mol |
| LogP | 5.9671 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.9383 |
| Heavy Atoms | 27 |
| Complexity | 845.06244 |
Chemical Identifiers
| CAS Number | 338966-83-9 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=C(C=C1)I)SC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate (CAS 338966-83-9), with molecular formula C17H13ClF3IN2O2S and molecular weight 527.94 g/mol. IUPAC: ethyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-(4-iodoanilino)prop-2-enoate.
Chemical Property Profile of ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate
Property Insights of ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate
The XLogP value of 5.9671 indicates that ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate 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 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate 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 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate?
The CAS number of ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate is 338966-83-9.
What is the molecular formula of ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate?
The molecular formula of ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate is C17H13ClF3IN2O2S.
What is the molecular weight of ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate?
The molecular weight of ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate is 527.94 g/mol.
Where can I buy ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate?
You can request a quote for ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate 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)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-(4-iodoanilino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.