3-bromo-2-oxo-2H-pyran-5-carboxylic acid
TL;DR: 3-bromo-2-oxo-2H-pyran-5-carboxylic acid (CAS 108723-62-2) is a chemical compound with molecular formula C6H3BrO4 and molecular weight 217.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-6-oxopyran-3-carboxylic acid
Also Known As: 3-bromo-2-oxo-2H-pyran-5-carboxylic acid, ChemDiv2_000603, 5-bromo-6-oxopyran-3-carboxylic acid, 5-bromo-6-oxo-pyran-3-carboxylic acid, 3-bromo-2-oxo-2H-pyran-5-carboxylicacid
| Molecular Formula | C6H3BrO4 |
|---|---|
| Molecular Weight | 217.92 g/mol |
| LogP | 1.1005 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.92146 |
| Heavy Atoms | 11 |
| Complexity | 340.68066 |
Chemical Identifiers
| CAS Number | 108723-62-2 |
|---|---|
| SMILES | C1=C(C(=O)OC=C1C(=O)O)Br |
Product Overview
3-bromo-2-oxo-2H-pyran-5-carboxylic acid (CAS 108723-62-2), with molecular formula C6H3BrO4 and molecular weight 217.92 g/mol. IUPAC: 5-bromo-6-oxopyran-3-carboxylic acid.
Chemical Property Profile of 3-bromo-2-oxo-2H-pyran-5-carboxylic acid
Property Insights of 3-bromo-2-oxo-2H-pyran-5-carboxylic acid
The XLogP value of 1.1005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-2-oxo-2H-pyran-5-carboxylic acid. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-2-oxo-2H-pyran-5-carboxylic acid. Following Lipinski's Rule of Five, 3-bromo-2-oxo-2H-pyran-5-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 3-bromo-2-oxo-2H-pyran-5-carboxylic acid?
The CAS number of 3-bromo-2-oxo-2H-pyran-5-carboxylic acid is 108723-62-2.
What is the molecular formula of 3-bromo-2-oxo-2H-pyran-5-carboxylic acid?
The molecular formula of 3-bromo-2-oxo-2H-pyran-5-carboxylic acid is C6H3BrO4.
What is the molecular weight of 3-bromo-2-oxo-2H-pyran-5-carboxylic acid?
The molecular weight of 3-bromo-2-oxo-2H-pyran-5-carboxylic acid is 217.92 g/mol.
Where can I buy 3-bromo-2-oxo-2H-pyran-5-carboxylic acid?
You can request a quote for 3-bromo-2-oxo-2H-pyran-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-2-oxo-2H-pyran-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-2-oxo-2H-pyran-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.