Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate
TL;DR: Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate (CAS 338411-10-2) is a chemical compound with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate
Also Known As: ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate, Ethyl 2-((4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl)propanoate, ethyl 2-[(4-hydroxy-5-methoxypyrimidin-2-yl)sulfanyl]propanoate, ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate, ethyl2-[(4-hydroxy-5-methoxypyrimidin-2-yl)sulfanyl]propanoate
| Molecular Formula | C10H14N2O4S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 0.8222 |
| Topological Polar Surface Area | 81.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.0674 |
| Heavy Atoms | 17 |
| Complexity | 446.1772 |
Chemical Identifiers
| CAS Number | 338411-10-2 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC=C(C(=O)N1)OC |
Product Overview
Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate (CAS 338411-10-2), with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol. IUPAC: ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate.
Chemical Property Profile of Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate
Property Insights of Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate
The XLogP value of 0.8222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate. The TPSA of 81.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate has 1 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-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate?
The CAS number of Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate is 338411-10-2.
What is the molecular formula of Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate?
The molecular formula of Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate is C10H14N2O4S.
What is the molecular weight of Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate?
The molecular weight of Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate is 258.07 g/mol.
Where can I buy Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate?
You can request a quote for Ethyl 2-[(4-hydroxy-5-methoxy-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-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(4-hydroxy-5-methoxy-2-pyrimidinyl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.