ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate
TL;DR: ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate (CAS 428828-64-2) is a chemical compound with molecular formula C18H22O5 and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetate
Also Known As: ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate, ethyl 2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetate, ETHYL 2-[(4-BUTYL-8-METHYL-2-OXO-2H-CHROMEN-7-YL)OXY]ACETATE
| Molecular Formula | C18H22O5 |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | 3.38592 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.14673 |
| Heavy Atoms | 23 |
| Complexity | 744.89575 |
Chemical Identifiers
| CAS Number | 428828-64-2 |
|---|---|
| SMILES | CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)OCC |
Product Overview
ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate (CAS 428828-64-2), with molecular formula C18H22O5 and molecular weight 318.15 g/mol. IUPAC: ethyl 2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetate.
Chemical Property Profile of ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate
Property Insights of ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate
The XLogP value of 3.38592 indicates that ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate. Following Lipinski's Rule of Five, ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate 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 [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate?
The CAS number of ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate is 428828-64-2.
What is the molecular formula of ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate?
The molecular formula of ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate is C18H22O5.
What is the molecular weight of ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate?
The molecular weight of ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate is 318.15 g/mol.
Where can I buy ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate?
You can request a quote for ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.