Methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate
TL;DR: Methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate (CAS 94696-05-6) is a chemical compound with molecular formula C19H22N2O2S and molecular weight 342.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]sulfanyl]acetate
Also Known As: methyl 2-[6-(1-adamantyl)-3-cyanopyridin-2-yl]sulfanylacetate, methyl {[3-cyano-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyridin-2-yl]sulfanyl}acetate, methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate
| Molecular Formula | C19H22N2O2S |
|---|---|
| Molecular Weight | 342.14 g/mol |
| LogP | 3.68618 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.1402 |
| Heavy Atoms | 24 |
| Complexity | 674.5244 |
Chemical Identifiers
| CAS Number | 94696-05-6 |
|---|---|
| SMILES | COC(=O)CSC1=C(C=CC(=N1)C23CC4CC(C2)CC(C4)C3)C#N |
Product Overview
Methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate (CAS 94696-05-6), with molecular formula C19H22N2O2S and molecular weight 342.14 g/mol. IUPAC: methyl 2-[[6-(1-adamantyl)-3-cyano-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate
Property Insights of Methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate
The XLogP value of 3.68618 indicates that Methyl 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 Methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Methyl 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 Methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate?
The CAS number of Methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate is 94696-05-6.
What is the molecular formula of Methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate?
The molecular formula of Methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate is C19H22N2O2S.
What is the molecular weight of Methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate?
The molecular weight of Methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate is 342.14 g/mol.
Where can I buy Methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate?
You can request a quote for Methyl 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 Methyl 2-((6-((3r,5r,7r)-adamantan-1-yl)-3-cyanopyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 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.