ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate
TL;DR: ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate (CAS 104150-64-3) is a chemical compound with molecular formula C18H16O6 and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(6-ethyl-7-hydroxy-4-oxochromen-3-yl)furan-2-carboxylate
Also Known As: ChemDiv2_003565, IFLab1_000520, (RS)-1-phenyl-3-butanol acetate, ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate, IDI1_002280
| Molecular Formula | C18H16O6 |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 3.4977 |
| Topological Polar Surface Area | 89.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0947 |
| Heavy Atoms | 24 |
| Complexity | 963.28973 |
Chemical Identifiers
| CAS Number | 104150-64-3 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1O)OC=C(C2=O)C3=CC=C(O3)C(=O)OCC |
Product Overview
ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate (CAS 104150-64-3), with molecular formula C18H16O6 and molecular weight 328.09 g/mol. IUPAC: ethyl 5-(6-ethyl-7-hydroxy-4-oxochromen-3-yl)furan-2-carboxylate.
Chemical Property Profile of ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate
Property Insights of ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate
The XLogP value of 3.4977 indicates that ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-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 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate?
The CAS number of ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate is 104150-64-3.
What is the molecular formula of ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate?
The molecular formula of ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate is C18H16O6.
What is the molecular weight of ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate?
The molecular weight of ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate is 328.09 g/mol.
Where can I buy ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate?
You can request a quote for ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-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 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(6-ethyl-7-hydroxy-4-oxo-4H-chromen-3-yl)furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.