3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester
TL;DR: 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester (CAS 729-63-5) is a chemical compound with molecular formula C11H12O7 and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-hydroxy-4-oxopyran-2,6-dicarboxylate
Also Known As: diethyl 3-hydroxy-4-oxo-pyran-2,6-dicarboxylate, 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester, Diethyl 3-hydroxy-4-oxo-4H-pyran-2,6-dicarboxylate, 4H-Pyran-2,6-dicarboxylic acid, 3-hydroxy-4-oxo-, diethyl ester, ethyl (6E)-6-[ethoxy(hydroxy)methylidene]-4,5-dioxopyran-2-carboxylate
| Molecular Formula | C11H12O7 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 0.6988 |
| Topological Polar Surface Area | 103.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.0583 |
| Heavy Atoms | 18 |
| Complexity | 514.6133 |
Chemical Identifiers
| CAS Number | 729-63-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C(=C(O1)C(=O)OCC)O |
Product Overview
3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester (CAS 729-63-5), with molecular formula C11H12O7 and molecular weight 256.06 g/mol. IUPAC: diethyl 3-hydroxy-4-oxopyran-2,6-dicarboxylate.
Chemical Property Profile of 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester
Property Insights of 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester
The XLogP value of 0.6988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester. The TPSA of 103.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester. Following Lipinski's Rule of Five, 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester has 1 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 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester?
The CAS number of 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester is 729-63-5.
What is the molecular formula of 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester?
The molecular formula of 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester is C11H12O7.
What is the molecular weight of 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester?
The molecular weight of 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester is 256.06 g/mol.
Where can I buy 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester?
You can request a quote for 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-oxo-4H-pyran-2,6-dicarboxylic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.