Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate
TL;DR: Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate (CAS 6596-05-0) is a chemical compound with molecular formula C20H17ClO6 and molecular weight 388.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate
Also Known As: T0512-1115, ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate, Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxo-4H-1-benzopyran-2-carboxylate, ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
| Molecular Formula | C20H17ClO6 |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 4.6834 |
| Topological Polar Surface Area | 85.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.07138 |
| Heavy Atoms | 27 |
| Complexity | 1052.7404 |
Chemical Identifiers
| CAS Number | 6596-05-0 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1O)OC(=C(C2=O)OC3=CC=C(C=C3)Cl)C(=O)OCC |
Product Overview
Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate (CAS 6596-05-0), with molecular formula C20H17ClO6 and molecular weight 388.07 g/mol. IUPAC: ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate.
Chemical Property Profile of Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate
Property Insights of Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate
The XLogP value of 4.6834 indicates that Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate has 1 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 Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate?
The CAS number of Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate is 6596-05-0.
What is the molecular formula of Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate?
The molecular formula of Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate is C20H17ClO6.
What is the molecular weight of Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate?
The molecular weight of Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate is 388.07 g/mol.
Where can I buy Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate?
You can request a quote for Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-chlorophenoxy)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.