Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate
TL;DR: Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate (CAS 338423-24-8) is a chemical compound with molecular formula C9H11ClN2O3S and molecular weight 262.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-chloro-5-methoxypyrimidin-2-yl)sulfanylacetate
Also Known As: Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate, 4J-346S, Ethyl 2-[(4-Chloro-5-Methoxypyrimidin-2-Yl)Sulfanyl]Acetate, Ethyl 2-((4-chloro-5-methoxy-2-pyrimidinyl)sulfanyl)acetate, ethyl 2-(4-chloro-5-methoxypyrimidin-2-yl)sulfanylacetate
| Molecular Formula | C9H11ClN2O3S |
|---|---|
| Molecular Weight | 262.02 g/mol |
| LogP | 1.7938 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.01788 |
| Heavy Atoms | 16 |
| Complexity | 375.77176 |
Chemical Identifiers
| CAS Number | 338423-24-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC=C(C(=N1)Cl)OC |
Product Overview
Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate (CAS 338423-24-8), with molecular formula C9H11ClN2O3S and molecular weight 262.02 g/mol. IUPAC: ethyl 2-(4-chloro-5-methoxypyrimidin-2-yl)sulfanylacetate.
Chemical Property Profile of Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate
Property Insights of Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate
The XLogP value of 1.7938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate has 0 hydrogen bond donor(s) and 6 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-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate?
The CAS number of Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate is 338423-24-8.
What is the molecular formula of Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate?
The molecular formula of Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate is C9H11ClN2O3S.
What is the molecular weight of Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate?
The molecular weight of Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate is 262.02 g/mol.
Where can I buy Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate?
You can request a quote for Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((4-chloro-5-methoxypyrimidin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.