![Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate structure](/static/products/4453/445380-92-7.webp)
Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate
TL;DR: Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate (CAS 445380-92-7) is a chemical compound with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl]acetate
Also Known As: ethyl 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)acetate, ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate, ethyl {[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl}acetate, ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanylethanoate, 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]thio]acetic acid ethyl ester
| Molecular Formula | C17H14N2O4S |
|---|---|
| Molecular Weight | 342.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.0674 |
| Heavy Atoms | 24 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 445380-92-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C=CC(=N1)C2=CC3=C(C=C2)OCO3)C#N |
| InChIKey | VXZJGHPVKBQRGV-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate (CAS 445380-92-7), with molecular formula C17H14N2O4S and molecular weight 342.07 g/mol. IUPAC: ethyl 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate
Property Insights of Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate
The XLogP value of 3.2 indicates that Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate has 0 hydrogen bond donor(s) and 7 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-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate?
The CAS number of Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate is 445380-92-7.
What is the molecular formula of Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate?
The molecular formula of Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate is C17H14N2O4S.
What is the molecular weight of Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate?
The molecular weight of Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate is 342.07 g/mol.
Where can I buy Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate?
You can request a quote for Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-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 Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.