6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid
TL;DR: 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid (CAS 2199-86-2) is a chemical compound with molecular formula C10H4Cl2O4 and molecular weight 257.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dichloro-2-oxochromene-3-carboxylic acid
Also Known As: 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid, Maybridge1_000531, 6,8-dichloro-2-oxochromene-3-carboxylic acid, 6,8-dichlorocoumarin-3-carboxylic acid, 6,8-dichloro-2-oxo-chromene-3-carboxylic acid
| Molecular Formula | C10H4Cl2O4 |
|---|---|
| Molecular Weight | 257.95 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.94867 |
| Heavy Atoms | 16 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 2199-86-2 |
|---|---|
| SMILES | C1=C2C=C(C(=O)OC2=C(C=C1Cl)Cl)C(=O)O |
| InChIKey | WJEHZKIVHXRVSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid (CAS 2199-86-2), with molecular formula C10H4Cl2O4 and molecular weight 257.95 g/mol. IUPAC: 6,8-dichloro-2-oxochromene-3-carboxylic acid.
Chemical Property Profile of 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid
Property Insights of 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid
The XLogP value of 3.5 indicates that 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid. Following Lipinski's Rule of Five, 6,8-Dichloro-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 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid?
The CAS number of 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid is 2199-86-2.
What is the molecular formula of 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid?
The molecular formula of 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid is C10H4Cl2O4.
What is the molecular weight of 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid?
The molecular weight of 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid is 257.95 g/mol.
Where can I buy 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid?
You can request a quote for 6,8-Dichloro-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 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dichloro-2-oxo-2H-chromene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.