ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
TL;DR: ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate (CAS 15732-44-2) is a chemical compound with molecular formula C18H13FO5 and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxochromene-2-carboxylate
Also Known As: EiM07-30388, ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate, 4H-1-Benzopyran-2-carboxylic acid, 3-(4-fluorophenyl)-7-hydroxy-4-oxo-, ethyl ester, ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxochromene-2-carboxylate, Ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-1-benzopyran-2-carboxylate
| Molecular Formula | C18H13FO5 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 3.4814 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.0747 |
| Heavy Atoms | 24 |
| Complexity | 973.10596 |
Chemical Identifiers
| CAS Number | 15732-44-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)F |
Product Overview
ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate (CAS 15732-44-2), with molecular formula C18H13FO5 and molecular weight 328.07 g/mol. IUPAC: ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxochromene-2-carboxylate.
Chemical Property Profile of ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
Property Insights of ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
The XLogP value of 3.4814 indicates that ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate 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 ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
The CAS number of ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate is 15732-44-2.
What is the molecular formula of ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
The molecular formula of ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate is C18H13FO5.
What is the molecular weight of ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
The molecular weight of ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate is 328.07 g/mol.
Where can I buy ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
You can request a quote for ethyl 3-(4-fluorophenyl)-7-hydroxy-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 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(4-fluorophenyl)-7-hydroxy-4-oxo-4H-chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.