isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate
TL;DR: isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate (CAS 442563-79-3) is a chemical compound with molecular formula C21H19ClO6 and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate
Also Known As: AE-641/41040153, isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate, isopropyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate, propan-2-yl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}propanoate, methylethyl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yloxy]propanoate
| Molecular Formula | C21H19ClO6 |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 4.9576 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.087 |
| Heavy Atoms | 28 |
| Complexity | 1056.1903 |
Chemical Identifiers
| CAS Number | 442563-79-3 |
|---|---|
| SMILES | CC(C)OC(=O)C(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3Cl |
Product Overview
isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate (CAS 442563-79-3), with molecular formula C21H19ClO6 and molecular weight 402.09 g/mol. IUPAC: propan-2-yl 2-[3-(2-chlorophenoxy)-4-oxochromen-7-yl]oxypropanoate.
Chemical Property Profile of isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate
Property Insights of isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate
The XLogP value of 4.9576 indicates that isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate. Following Lipinski's Rule of Five, isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate has 0 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 isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate?
The CAS number of isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate is 442563-79-3.
What is the molecular formula of isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate?
The molecular formula of isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate is C21H19ClO6.
What is the molecular weight of isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate?
The molecular weight of isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate is 402.09 g/mol.
Where can I buy isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate?
You can request a quote for isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-((3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl)oxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.