Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate
TL;DR: Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate (CAS 24056-48-2) is a chemical compound with molecular formula C9H10O5 and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-hydroxy-6-methyl-4-oxopyran-2-carboxylate
Also Known As: Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate, ethyl 5-hydroxy-6-methyl-4-oxopyran-2-carboxylate, ethyl5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate, 4H-Pyran-2-carboxylicacid, 5-hydroxy-6-methyl-4-oxo-, ethyl ester, 4H-Pyran-2-carboxylicacid,5-hydroxy-6-methyl-4-oxo-,ethyl ester
| Molecular Formula | C9H10O5 |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.05283 |
| Heavy Atoms | 14 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 24056-48-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C(=C(O1)C)O |
| InChIKey | LXHGALLQKKIMAZ-UHFFFAOYSA-N |
Product Overview
Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate (CAS 24056-48-2), with molecular formula C9H10O5 and molecular weight 198.05 g/mol. IUPAC: ethyl 5-hydroxy-6-methyl-4-oxopyran-2-carboxylate.
Chemical Property Profile of Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate
Property Insights of Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate 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 Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate?
The CAS number of Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate is 24056-48-2.
What is the molecular formula of Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate?
The molecular formula of Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate is C9H10O5.
What is the molecular weight of Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate?
The molecular weight of Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate is 198.05 g/mol.
Where can I buy Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate?
You can request a quote for Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.