5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester
TL;DR: 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester (CAS 49652-51-9) is a chemical compound with molecular formula C8H8O5 and molecular weight 184.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-4-oxopyran-2-carboxylate
Also Known As: 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester, ethyl 5-hydroxy-4-oxopyran-2-carboxylate, ethyl 5-hydroxy-4-oxo-4H-pyran-2-carboxylate, ethyl 5-hydroxy-4-oxo-pyran-2-carboxylate, 4H-Pyran-2-carboxylic acid, 5-hydroxy-4-oxo-, ethyl ester
| Molecular Formula | C8H8O5 |
|---|---|
| Molecular Weight | 184.04 g/mol |
| LogP | 0.5221 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.03717 |
| Heavy Atoms | 13 |
| Complexity | 365.0423 |
Chemical Identifiers
| CAS Number | 49652-51-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C(=CO1)O |
Product Overview
5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester (CAS 49652-51-9), with molecular formula C8H8O5 and molecular weight 184.04 g/mol. IUPAC: ethyl 5-hydroxy-4-oxopyran-2-carboxylate.
Chemical Property Profile of 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester
Property Insights of 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester
The XLogP value of 0.5221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester has 1 hydrogen bond donor(s) and 5 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 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester?
The CAS number of 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester is 49652-51-9.
What is the molecular formula of 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester?
The molecular formula of 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester is C8H8O5.
What is the molecular weight of 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester?
The molecular weight of 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester is 184.04 g/mol.
Where can I buy 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester?
You can request a quote for 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-4-oxo-4H-pyran-2-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.