ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
TL;DR: ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate (CAS 587013-15-8) is a chemical compound with molecular formula C26H21FO6 and molecular weight 448.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate
Also Known As: ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate, ethyl 7-[(4-fluorobenzyl)oxy]-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate, Ethyl 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenyl)-4-oxo-chromene-2-carboxylate, ethyl 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenyl)-4-oxochromene-2-carboxyl ate, ethyl 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate
| Molecular Formula | C26H21FO6 |
|---|---|
| Molecular Weight | 448.13 g/mol |
| LogP | 5.3634 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.1322 |
| Heavy Atoms | 33 |
| Complexity | 1340.5759 |
Chemical Identifiers
| CAS Number | 587013-15-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OCC3=CC=C(C=C3)F)C4=CC=C(C=C4)OC |
Product Overview
ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate (CAS 587013-15-8), with molecular formula C26H21FO6 and molecular weight 448.13 g/mol. IUPAC: ethyl 7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenyl)-4-oxochromene-2-carboxylate.
Chemical Property Profile of ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
Property Insights of ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
The XLogP value of 5.3634 indicates that ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate 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 ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate?
The CAS number of ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate is 587013-15-8.
What is the molecular formula of ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate?
The molecular formula of ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate is C26H21FO6.
What is the molecular weight of ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate?
The molecular weight of ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate is 448.13 g/mol.
Where can I buy ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate?
You can request a quote for ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-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-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 7-((4-fluorobenzyl)oxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.