dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate
TL;DR: dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate (CAS 6558-96-9) is a chemical compound with molecular formula C9H8O6 and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-oxopyran-2,6-dicarboxylate
Also Known As: dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate, dimethyl 4-oxopyran-2,6-dicarboxylate, 4H-Pyran-2,6-dicarboxylic acid, 4-oxo-, dimethyl ester, J1.408.413D, 2,6-dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate
| Molecular Formula | C9H8O6 |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 0.213 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.03209 |
| Heavy Atoms | 15 |
| Complexity | 406.91095 |
Chemical Identifiers
| CAS Number | 6558-96-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=O)C=C(O1)C(=O)OC |
Product Overview
dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate (CAS 6558-96-9), with molecular formula C9H8O6 and molecular weight 212.03 g/mol. IUPAC: dimethyl 4-oxopyran-2,6-dicarboxylate.
Chemical Property Profile of dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate
Property Insights of dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate
The XLogP value of 0.213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate. The TPSA of 82.81 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate has 0 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 dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate?
The CAS number of dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate is 6558-96-9.
What is the molecular formula of dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate?
The molecular formula of dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate is C9H8O6.
What is the molecular weight of dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate?
The molecular weight of dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate is 212.03 g/mol.
Where can I buy dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate?
You can request a quote for dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 4-oxo-4H-pyran-2,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.