8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid
TL;DR: 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid (CAS 213749-64-5) is a chemical compound with molecular formula C10H4BrClO4 and molecular weight 301.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-6-chloro-2-oxochromene-3-carboxylic acid
Also Known As: 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid, 8-bromo-6-chloro-2-oxochromene-3-carboxylic acid, 8-Bromo-6-chlorocoumarin-3-carboxylic acid, 8-bromo-6-chloro-2-oxo-chromene-3-carboxylic Acid, 2H-1-Benzopyran-3-carboxylicacid, 8-bromo-6-chloro-2-oxo-
| Molecular Formula | C10H4BrClO4 |
|---|---|
| Molecular Weight | 301.90 g/mol |
| LogP | 2.9071 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 301.89816 |
| Heavy Atoms | 16 |
| Complexity | 647.0445 |
Chemical Identifiers
| CAS Number | 213749-64-5 |
|---|---|
| SMILES | C1=C2C=C(C(=O)OC2=C(C=C1Cl)Br)C(=O)O |
Product Overview
8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid (CAS 213749-64-5), with molecular formula C10H4BrClO4 and molecular weight 301.90 g/mol. IUPAC: 8-bromo-6-chloro-2-oxochromene-3-carboxylic acid.
Chemical Property Profile of 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid
Property Insights of 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid
The XLogP value of 2.9071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid. Following Lipinski's Rule of Five, 8-bromo-6-chloro-2-oxo-2H-chromene-3-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 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid?
The CAS number of 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid is 213749-64-5.
What is the molecular formula of 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid?
The molecular formula of 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid is C10H4BrClO4.
What is the molecular weight of 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid?
The molecular weight of 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid is 301.90 g/mol.
Where can I buy 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid?
You can request a quote for 8-bromo-6-chloro-2-oxo-2H-chromene-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 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.