![ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE structure](/static/products/6180/618074-66-1.webp)
ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE
TL;DR: ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE (CAS 618074-66-1) is a chemical compound with molecular formula C25H20F3N3O3S and molecular weight 499.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzoate
Also Known As: ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE, 637-916-0, ETHYL 4-((((3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL)SULFANYL)ACETYL)AMINO)BENZOATE, ethyl 4-[({[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)amino]benzoate, ethyl 4-[[2-[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate
| Molecular Formula | C25H20F3N3O3S |
|---|---|
| Molecular Weight | 499.12 g/mol |
| LogP | 5.855 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.11774 |
| Heavy Atoms | 35 |
| Complexity | 1268.5901 |
Chemical Identifiers
| CAS Number | 618074-66-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)C)C(F)(F)F)C#N |
Product Overview
ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE (CAS 618074-66-1), with molecular formula C25H20F3N3O3S and molecular weight 499.12 g/mol. IUPAC: ethyl 4-[[2-[[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE
Property Insights of ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE
The XLogP value of 5.855 indicates that ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE. Following Lipinski's Rule of Five, ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE 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 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE?
The CAS number of ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE is 618074-66-1.
What is the molecular formula of ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE?
The molecular formula of ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE is C25H20F3N3O3S.
What is the molecular weight of ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE?
The molecular weight of ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE is 499.12 g/mol.
Where can I buy ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE?
You can request a quote for ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 4-[({[3-CYANO-6-(4-METHYLPHENYL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETYL)AMINO]BENZOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.