Ethyl 2-quinolin-2-ylsulfanylacetate
TL;DR: Ethyl 2-quinolin-2-ylsulfanylacetate (CAS 52131-48-3) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-quinolin-2-ylsulfanylacetate
Also Known As: ethyl 2-quinolin-2-ylsulfanylacetate, IFLab1_000871, ethyl 2-(2-quinolylthio)acetate, ethyl 2-(quinolin-2-ylsulfanyl)acetate, ethyl 2-(quinolin-2-ylthio)acetate
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 64.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 52131-48-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=CC=CC=C2C=C1 |
| InChIKey | AIHOCXBKNMJTLF-UHFFFAOYSA-N |
Product Overview
Ethyl 2-quinolin-2-ylsulfanylacetate (CAS 52131-48-3), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: ethyl 2-quinolin-2-ylsulfanylacetate.
Chemical Property Profile of Ethyl 2-quinolin-2-ylsulfanylacetate
Property Insights of Ethyl 2-quinolin-2-ylsulfanylacetate
The XLogP value of 3.3 indicates that Ethyl 2-quinolin-2-ylsulfanylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-quinolin-2-ylsulfanylacetate. Following Lipinski's Rule of Five, Ethyl 2-quinolin-2-ylsulfanylacetate has 0 hydrogen bond donor(s) and 4 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-quinolin-2-ylsulfanylacetate?
The CAS number of Ethyl 2-quinolin-2-ylsulfanylacetate is 52131-48-3.
What is the molecular formula of Ethyl 2-quinolin-2-ylsulfanylacetate?
The molecular formula of Ethyl 2-quinolin-2-ylsulfanylacetate is C13H13NO2S.
What is the molecular weight of Ethyl 2-quinolin-2-ylsulfanylacetate?
The molecular weight of Ethyl 2-quinolin-2-ylsulfanylacetate is 247.07 g/mol.
Where can I buy Ethyl 2-quinolin-2-ylsulfanylacetate?
You can request a quote for Ethyl 2-quinolin-2-ylsulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-quinolin-2-ylsulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-quinolin-2-ylsulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.