![Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate structure](/static/products/866/866017-27-8.png)
Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate
TL;DR: Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate (CAS 866017-27-8) is a chemical compound with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4,5-dimethoxypyrimidin-2-yl)sulfanylpropanoate
Also Known As: 4J-393S, ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate, ethyl 2-(4,5-dimethoxypyrimidin-2-yl)sulfanylpropanoate, ethyl 2-[(4,5-dimethoxypyrimidin-2-yl)sulfanyl]propanoate, ethyl2-[(4,5-dimethoxypyrimidin-2-yl)sulfanyl]propanoate
| Molecular Formula | C11H16N2O4S |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 1.5375 |
| Topological Polar Surface Area | 70.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.08307 |
| Heavy Atoms | 18 |
| Complexity | 414.02972 |
Chemical Identifiers
| CAS Number | 866017-27-8 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC=C(C(=N1)OC)OC |
Product Overview
Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate (CAS 866017-27-8), with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol. IUPAC: ethyl 2-(4,5-dimethoxypyrimidin-2-yl)sulfanylpropanoate.
Chemical Property Profile of Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate
Property Insights of Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate
The XLogP value of 1.5375 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate. The TPSA of 70.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate 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-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate?
The CAS number of Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate is 866017-27-8.
What is the molecular formula of Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate?
The molecular formula of Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate is C11H16N2O4S.
What is the molecular weight of Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate?
The molecular weight of Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate is 272.08 g/mol.
Where can I buy Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate?
You can request a quote for Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(4,5-dimethoxy-2-pyrimidinyl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.