4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester
TL;DR: 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester (CAS 843-08-3) is a chemical compound with molecular formula C11H10Br2O6 and molecular weight 395.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3,5-dibromo-4-oxopyran-2,6-dicarboxylate
Also Known As: Diethyl 3,5-dibromo-4-oxo-4H-pyran-2,6-dicarboxylate, diethyl 3,5-dibromo-4-oxopyran-2,6-dicarboxylate, J1.426.622D, 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester, 2,6-diethyl 3,5-dibromo-4-oxo-4H-pyran-2,6-dicarboxylate
| Molecular Formula | C11H10Br2O6 |
|---|---|
| Molecular Weight | 395.88 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.8844 |
| Heavy Atoms | 19 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 843-08-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C(=C(O1)C(=O)OCC)Br)Br |
| InChIKey | WAPREULXOBKLOM-UHFFFAOYSA-N |
Product Overview
4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester (CAS 843-08-3), with molecular formula C11H10Br2O6 and molecular weight 395.88 g/mol. IUPAC: diethyl 3,5-dibromo-4-oxopyran-2,6-dicarboxylate.
Chemical Property Profile of 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester
Property Insights of 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester. Following Lipinski's Rule of Five, 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester 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 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester?
The CAS number of 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester is 843-08-3.
What is the molecular formula of 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester?
The molecular formula of 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester is C11H10Br2O6.
What is the molecular weight of 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester?
The molecular weight of 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester is 395.88 g/mol.
Where can I buy 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester?
You can request a quote for 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyran-2,6-dicarboxylic acid, 3,5-dibromo-4-oxo-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.