Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate
TL;DR: Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate (CAS 500115-90-2) is a chemical compound with molecular formula C10H14N2O3S and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate
Also Known As: ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate, ethyl 2-(6-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoate, ethyl 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate, 2-(6-Methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-propionic acid ethyl ester
| Molecular Formula | C10H14N2O3S |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 1.40751 |
| Topological Polar Surface Area | 74.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.07251 |
| Heavy Atoms | 16 |
| Complexity | 503.521 |
Chemical Identifiers
| CAS Number | 500115-90-2 |
|---|---|
| SMILES | CCOC(=O)C(C)C1=C(NC(=S)NC1=O)C |
Product Overview
Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate (CAS 500115-90-2), with molecular formula C10H14N2O3S and molecular weight 242.07 g/mol. IUPAC: ethyl 2-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoate.
Chemical Property Profile of Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate
Property Insights of Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate
The XLogP value of 1.40751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate. The TPSA of 74.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate. Following Lipinski's Rule of Five, Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate has 2 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-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
The CAS number of Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate is 500115-90-2.
What is the molecular formula of Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
The molecular formula of Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate is C10H14N2O3S.
What is the molecular weight of Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
The molecular weight of Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate is 242.07 g/mol.
Where can I buy Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
You can request a quote for Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)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-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-hydroxy-6-methyl-2-sulfanylpyrimidin-5-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.