8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid
TL;DR: 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid (CAS 170512-76-2) is a chemical compound with molecular formula C18H11ClO7 and molecular weight 374.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(6-chloro-3-hydroxy-4-oxochromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid
Also Known As: 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid, 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-benzo[d][1,3]dioxine-6-carboxylic acid, 8-(6-chloro-3-hydroxy-4-oxochromen-2-yl)-2H,4H-benzo[e]1,3-dioxane-6-carboxyli c acid, 8-(6-chloro-3-hydroxy-4-oxochromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid
| Molecular Formula | C18H11ClO7 |
|---|---|
| Molecular Weight | 374.02 g/mol |
| LogP | 3.3837 |
| Topological Polar Surface Area | 106.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.01932 |
| Heavy Atoms | 26 |
| Complexity | 1116.7032 |
Chemical Identifiers
| CAS Number | 170512-76-2 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)C(=O)O)C3=C(C(=O)C4=C(O3)C=CC(=C4)Cl)O)OCO1 |
Product Overview
8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid (CAS 170512-76-2), with molecular formula C18H11ClO7 and molecular weight 374.02 g/mol. IUPAC: 8-(6-chloro-3-hydroxy-4-oxochromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid.
Chemical Property Profile of 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid
Property Insights of 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid
The XLogP value of 3.3837 indicates that 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid. Following Lipinski's Rule of Five, 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid has 2 hydrogen bond donor(s) and 6 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-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid?
The CAS number of 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid is 170512-76-2.
What is the molecular formula of 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid?
The molecular formula of 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid is C18H11ClO7.
What is the molecular weight of 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid?
The molecular weight of 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid is 374.02 g/mol.
Where can I buy 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid?
You can request a quote for 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-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-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-(6-chloro-3-hydroxy-4-oxo-4H-chromen-2-yl)-4H-1,3-benzodioxine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.