![ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate structure](/static/products/6253/625369-71-3.webp)
ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate
TL;DR: ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate (CAS 625369-71-3) is a chemical compound with molecular formula C21H23F3N2O2S and molecular weight 424.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate
Also Known As: ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate, AM-807/14143076, ethyl 2-[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate, Ethyl 2-((6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl)thio)acetate, ethyl 2-{[6-(adamantan-1-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate
| Molecular Formula | C21H23F3N2O2S |
|---|---|
| Molecular Weight | 424.14 g/mol |
| LogP | 5.09508 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.14322 |
| Heavy Atoms | 29 |
| Complexity | 827.4236 |
Chemical Identifiers
| CAS Number | 625369-71-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(=CC(=N1)C23CC4CC(C2)CC(C4)C3)C(F)(F)F)C#N |
Product Overview
ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate (CAS 625369-71-3), with molecular formula C21H23F3N2O2S and molecular weight 424.14 g/mol. IUPAC: ethyl 2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate
Property Insights of ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate
The XLogP value of 5.09508 indicates that ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate has 0 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-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate?
The CAS number of ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate is 625369-71-3.
What is the molecular formula of ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate?
The molecular formula of ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate is C21H23F3N2O2S.
What is the molecular weight of ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate?
The molecular weight of ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate is 424.14 g/mol.
Where can I buy ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate?
You can request a quote for ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.