Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate
TL;DR: Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate (CAS 354555-55-8) is a chemical compound with molecular formula C22H20N2O2S2 and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[(3-cyano-6-phenyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate
Also Known As: tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate, AM-807/13612213, tert-butyl {[3-cyano-6-phenyl-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetate, tert-butyl 2-((3-cyano-6-phenyl-4-(thiophen-2-yl)pyridin-2-yl)thio)acetate, tert-butyl 2-{[3-cyano-6-phenyl-4-(2-thienyl)-2-pyridinyl]sulfanyl}acetate
| Molecular Formula | C22H20N2O2S2 |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 5.78258 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.09662 |
| Heavy Atoms | 28 |
| Complexity | 1001.5063 |
Chemical Identifiers
| CAS Number | 354555-55-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CS3)C#N |
Product Overview
Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate (CAS 354555-55-8), with molecular formula C22H20N2O2S2 and molecular weight 408.10 g/mol. IUPAC: tert-butyl 2-[(3-cyano-6-phenyl-4-thiophen-2-yl-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate
Property Insights of Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate
The XLogP value of 5.78258 indicates that Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate 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 Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate. Following Lipinski's Rule of Five, Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate has 0 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 Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate?
The CAS number of Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate is 354555-55-8.
What is the molecular formula of Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate?
The molecular formula of Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate is C22H20N2O2S2.
What is the molecular weight of Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate?
The molecular weight of Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate is 408.10 g/mol.
Where can I buy Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate?
You can request a quote for Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-(3-cyano-6-phenyl-4-thiophen-2-ylpyridin-2-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.