![methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate structure](/static/products/3389/338966-74-8.webp)
methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate
TL;DR: methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate (CAS 338966-74-8) is a chemical compound with molecular formula C19H16ClF3N2O4S and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-ethoxy-3-oxoprop-1-enyl]amino]benzoate
Also Known As: methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate, METHYL 4-[(2-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]SULFANYL}-3-ETHOXY-3-OXOPROP-1-EN-1-YL)AMINO]BENZOATE, methyl 4-[[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-ethoxy-3-oxoprop-1-enyl]amino]benzoate
| Molecular Formula | C19H16ClF3N2O4S |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 5.1491 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.04715 |
| Heavy Atoms | 30 |
| Complexity | 949.78595 |
Chemical Identifiers
| CAS Number | 338966-74-8 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=C(C=C1)C(=O)OC)SC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate (CAS 338966-74-8), with molecular formula C19H16ClF3N2O4S and molecular weight 460.05 g/mol. IUPAC: methyl 4-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-ethoxy-3-oxoprop-1-enyl]amino]benzoate.
Chemical Property Profile of methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate
Property Insights of methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate
The XLogP value of 5.1491 indicates that methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate. Following Lipinski's Rule of Five, methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate?
The CAS number of methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate is 338966-74-8.
What is the molecular formula of methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate?
The molecular formula of methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate is C19H16ClF3N2O4S.
What is the molecular weight of methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate?
The molecular weight of methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate is 460.05 g/mol.
Where can I buy methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate?
You can request a quote for methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-3-ethoxy-3-oxo-1-propenyl)amino]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.