![{[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid structure](/static/products/5982/59829-80-0.webp)
{[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid
TL;DR: {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid (CAS 59829-80-0) is a chemical compound with molecular formula C17H11ClO5 and molecular weight 330.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxyacetic acid
Also Known As: KST-1B6056, EINECS 261-944-9, Methyl stearate, monocarboxy derivative, {[3-(4-chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid, BIM-0038131.P001
| Molecular Formula | C17H11ClO5 |
|---|---|
| Molecular Weight | 330.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.0295 |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 59829-80-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OCC(=O)O)Cl |
| InChIKey | IHJLLWWPIVQSNY-UHFFFAOYSA-N |
Product Overview
{[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid (CAS 59829-80-0), with molecular formula C17H11ClO5 and molecular weight 330.03 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxyacetic acid.
Chemical Property Profile of {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid
Property Insights of {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid
The XLogP value of 3.4 indicates that {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid. Following Lipinski's Rule of Five, {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid has 1 hydrogen bond donor(s) and 5 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 {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid?
The CAS number of {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid is 59829-80-0.
What is the molecular formula of {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid?
The molecular formula of {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid is C17H11ClO5.
What is the molecular weight of {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid?
The molecular weight of {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid is 330.03 g/mol.
Where can I buy {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid?
You can request a quote for {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[3-(4-Chlorophenyl)-4-oxo-4h-chromen-7-yl]oxy}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.