6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid
TL;DR: 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid (CAS 119686-34-9) is a chemical compound with molecular formula C11H7BrO5 and molecular weight 297.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-8-methoxy-2-oxochromene-3-carboxylic acid
Also Known As: 6-bromo-8-methoxy-2-oxo-2H-chromene-3-carboxylic acid, Maybridge1_006711, 6-bromo-8-methoxy-2-oxochromene-3-carboxylic acid, 6-bromo-8-methoxy-2-oxo-chromene-3-carboxylic acid, 2H-1-Benzopyran-3-carboxylicacid, 6-bromo-8-methoxy-2-oxo-
| Molecular Formula | C11H7BrO5 |
|---|---|
| Molecular Weight | 297.95 g/mol |
| LogP | 2.2623 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.9477 |
| Heavy Atoms | 17 |
| Complexity | 658.69476 |
Chemical Identifiers
| CAS Number | 119686-34-9 |
|---|---|
| SMILES | COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C(=O)O |
Product Overview
6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid (CAS 119686-34-9), with molecular formula C11H7BrO5 and molecular weight 297.95 g/mol. IUPAC: 6-bromo-8-methoxy-2-oxochromene-3-carboxylic acid.
Chemical Property Profile of 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid
Property Insights of 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid
The XLogP value of 2.2623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid. Following Lipinski's Rule of Five, 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid?
The CAS number of 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid is 119686-34-9.
What is the molecular formula of 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid?
The molecular formula of 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid is C11H7BrO5.
What is the molecular weight of 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid?
The molecular weight of 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid is 297.95 g/mol.
Where can I buy 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid?
You can request a quote for 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.