Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate
TL;DR: Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate (CAS 7252-26-8) is a chemical compound with molecular formula C21H20O5 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-ethyl-4-oxo-7-phenylmethoxychromene-2-carboxylate
Also Known As: ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate, ethyl 6-ethyl-4-oxo-7-phenylmethoxychromene-2-carboxylate, ethyl 7-benzyloxy-6-ethyl-4-oxo-chromene-2-carboxylate, Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4H-1-benzopyran-2-carboxylate, RefChem:344616
| Molecular Formula | C21H20O5 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.13107 |
| Heavy Atoms | 26 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 7252-26-8 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OCC3=CC=CC=C3)OC(=CC2=O)C(=O)OCC |
| InChIKey | KBXOLAKKNCCITE-UHFFFAOYSA-N |
Product Overview
Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate (CAS 7252-26-8), with molecular formula C21H20O5 and molecular weight 352.13 g/mol. IUPAC: ethyl 6-ethyl-4-oxo-7-phenylmethoxychromene-2-carboxylate.
Chemical Property Profile of Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate
Property Insights of Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate
The XLogP value of 4.2 indicates that Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate has 0 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 Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate?
The CAS number of Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate is 7252-26-8.
What is the molecular formula of Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate?
The molecular formula of Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate is C21H20O5.
What is the molecular weight of Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate?
The molecular weight of Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate is 352.13 g/mol.
Where can I buy Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate?
You can request a quote for Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-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 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-(benzyloxy)-6-ethyl-4-oxo-4h-chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.