6-Chloro-2-oxo-2H-chromene-3-carboxylic acid
TL;DR: 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid (CAS 89806-20-2) is a chemical compound with molecular formula C10H5ClO4 and molecular weight 223.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-oxochromene-3-carboxylic acid
Also Known As: 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid, 6-chloro-2-oxochromene-3-carboxylic acid, Maybridge4_003184, 3-Carboxy-6-chlorocoumarin, 6-chlorocoumarin-3-carboxylic acid
| Molecular Formula | C10H5ClO4 |
|---|---|
| Molecular Weight | 223.99 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.98764 |
| Heavy Atoms | 15 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 89806-20-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C(=O)O |
| InChIKey | FOEGEQQPOKZIAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-2-oxo-2H-chromene-3-carboxylic acid (CAS 89806-20-2), with molecular formula C10H5ClO4 and molecular weight 223.99 g/mol. IUPAC: 6-chloro-2-oxochromene-3-carboxylic acid.
Chemical Property Profile of 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid
Property Insights of 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid. Following Lipinski's Rule of Five, 6-Chloro-2-oxo-2H-chromene-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-Chloro-2-oxo-2H-chromene-3-carboxylic acid?
The CAS number of 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid is 89806-20-2.
What is the molecular formula of 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid?
The molecular formula of 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid is C10H5ClO4.
What is the molecular weight of 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid?
The molecular weight of 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid is 223.99 g/mol.
Where can I buy 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid?
You can request a quote for 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 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-oxo-2H-chromene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.