Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate
TL;DR: Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate (CAS 94696-06-7) is a chemical compound with molecular formula C20H24N2O2S and molecular weight 356.16 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-2-pyridinyl]sulfanyl]acetate
Also Known As: ethyl 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanylacetate, ethyl {[3-cyano-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyridin-2-yl]sulfanyl}acetate, ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate
| Molecular Formula | C20H24N2O2S |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 4.07628 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.15585 |
| Heavy Atoms | 25 |
| Complexity | 689.61237 |
Chemical Identifiers
| CAS Number | 94696-06-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C=CC(=N1)C23CC4CC(C2)CC(C4)C3)C#N |
Product Overview
Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate (CAS 94696-06-7), with molecular formula C20H24N2O2S and molecular weight 356.16 g/mol. IUPAC: ethyl 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate
Property Insights of Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate
The XLogP value of 4.07628 indicates that Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)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-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate?
The CAS number of Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate is 94696-06-7.
What is the molecular formula of Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate?
The molecular formula of Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate is C20H24N2O2S.
What is the molecular weight of Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate?
The molecular weight of Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate is 356.16 g/mol.
Where can I buy Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate?
You can request a quote for Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)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-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.