![Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate structure](/static/products/328/328071-92-7.png)
Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate
TL;DR: Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate (CAS 328071-92-7) is a chemical compound with molecular formula C20H16N2O3S2 and molecular weight 396.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
Also Known As: methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate, methyl {[3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetate, methyl 2-((3-cyano-4-(4-methoxyphenyl)-6-(thiophen-2-yl)pyridin-2-yl)thio)acetate, methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridin-2-yl]sulfanylacetate
| Molecular Formula | C20H16N2O3S2 |
|---|---|
| Molecular Weight | 396.06 g/mol |
| LogP | 4.62248 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.06024 |
| Heavy Atoms | 27 |
| Complexity | 977.7066 |
Chemical Identifiers
| CAS Number | 328071-92-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)OC)C3=CC=CS3 |
Product Overview
Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate (CAS 328071-92-7), with molecular formula C20H16N2O3S2 and molecular weight 396.06 g/mol. IUPAC: methyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate
Property Insights of Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate
The XLogP value of 4.62248 indicates that Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate 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 Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate. Following Lipinski's Rule of Five, Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate 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 Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate?
The CAS number of Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate is 328071-92-7.
What is the molecular formula of Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate?
The molecular formula of Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate is C20H16N2O3S2.
What is the molecular weight of Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate?
The molecular weight of Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate is 396.06 g/mol.
Where can I buy Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate?
You can request a quote for Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]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-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[3-cyano-4-(4-methoxyphenyl)-6-(2-thienyl)-2-pyridylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.