Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate
TL;DR: Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate (CAS 445265-55-4) is a chemical compound with molecular formula C19H16N2O2S3 and molecular weight 400.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)sulfanyl]acetate
Also Known As: propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate, 1-methylethyl [(3-cyano-4,6-dithien-2-ylpyridin-2-yl)sulfanyl]acetate, AM-807/12427015, methylethyl 2-(3-cyano-4,6-di(2-thienyl)-2-pyridylthio)acetate, isopropyl 2-((3-cyano-4,6-di(thiophen-2-yl)pyridin-2-yl)thio)acetate
| Molecular Formula | C19H16N2O2S3 |
|---|---|
| Molecular Weight | 400.04 g/mol |
| LogP | 5.45398 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.03738 |
| Heavy Atoms | 26 |
| Complexity | 926.6025 |
Chemical Identifiers
| CAS Number | 445265-55-4 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CS3)C#N |
Product Overview
Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate (CAS 445265-55-4), with molecular formula C19H16N2O2S3 and molecular weight 400.04 g/mol. IUPAC: propan-2-yl 2-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)sulfanyl]acetate.
Chemical Property Profile of Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate
Property Insights of Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate
The XLogP value of 5.45398 indicates that Propan-2-yl 2-(3-cyano-4,6-dithiophen-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 Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate. Following Lipinski's Rule of Five, Propan-2-yl 2-(3-cyano-4,6-dithiophen-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 Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate?
The CAS number of Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate is 445265-55-4.
What is the molecular formula of Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate?
The molecular formula of Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate is C19H16N2O2S3.
What is the molecular weight of Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate?
The molecular weight of Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate is 400.04 g/mol.
Where can I buy Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate?
You can request a quote for Propan-2-yl 2-(3-cyano-4,6-dithiophen-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 Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.