Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate
TL;DR: Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate (CAS 729-62-4) is a chemical compound with molecular formula C11H11BrO6 and molecular weight 317.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-bromo-4-oxopyran-2,6-dicarboxylate
Also Known As: Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate, diethyl 3-bromo-4-oxopyran-2,6-dicarboxylate, 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylic acid 2,6-diethyl ester
| Molecular Formula | C11H11BrO6 |
|---|---|
| Molecular Weight | 317.97 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.9739 |
| Heavy Atoms | 18 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 729-62-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C(=C(O1)C(=O)OCC)Br |
| InChIKey | QMSGSLGPSWYZFK-UHFFFAOYSA-N |
Product Overview
Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate (CAS 729-62-4), with molecular formula C11H11BrO6 and molecular weight 317.97 g/mol. IUPAC: diethyl 3-bromo-4-oxopyran-2,6-dicarboxylate.
Chemical Property Profile of Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate
Property Insights of Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 3-bromo-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 Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate?
The CAS number of Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate is 729-62-4.
What is the molecular formula of Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate?
The molecular formula of Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate is C11H11BrO6.
What is the molecular weight of Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate?
The molecular weight of Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate is 317.97 g/mol.
Where can I buy Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate?
You can request a quote for Diethyl 3-bromo-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 Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-bromo-4-oxo-4h-pyran-2,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.