![tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate structure](/static/products/4452/445222-08-2.webp)
tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate
TL;DR: tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate (CAS 445222-08-2) is a chemical compound with molecular formula C23H22N2O3S2 and molecular weight 438.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
Also Known As: tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate, 1,1-dimethylethyl ({3-cyano-4-[4-(methyloxy)phenyl]-6-thien-2-ylpyridin-2-yl}sulfanyl)acetate, tert-butyl {[3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetate, tert-butyl 2-((3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)acetate, tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate
| Molecular Formula | C23H22N2O3S2 |
|---|---|
| Molecular Weight | 438.11 g/mol |
| LogP | 5.79118 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.10718 |
| Heavy Atoms | 30 |
| Complexity | 1063.5631 |
Chemical Identifiers
| CAS Number | 445222-08-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=C(C=C3)OC)C#N |
Product Overview
tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate (CAS 445222-08-2), with molecular formula C23H22N2O3S2 and molecular weight 438.11 g/mol. IUPAC: tert-butyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate
Property Insights of tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate
The XLogP value of 5.79118 indicates that tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate. Following Lipinski's Rule of Five, tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate has 0 hydrogen bond donor(s) and 7 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-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate?
The CAS number of tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate is 445222-08-2.
What is the molecular formula of tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate?
The molecular formula of tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate is C23H22N2O3S2.
What is the molecular weight of tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate?
The molecular weight of tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate is 438.11 g/mol.
Where can I buy tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate?
You can request a quote for tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-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-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.