ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate
TL;DR: ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate (CAS 321945-03-3) is a chemical compound with molecular formula C20H26O5 and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-hexyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
Also Known As: AE-848/32604025, ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate, ethyl 2-(6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate, ethyl 2-(6-hexyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
| Molecular Formula | C20H26O5 |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 4.03542 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.178 |
| Heavy Atoms | 25 |
| Complexity | 803.81915 |
Chemical Identifiers
| CAS Number | 321945-03-3 |
|---|---|
| SMILES | CCCCCCC1=CC2=C(C=C1O)OC(=O)C(=C2C)CC(=O)OCC |
Product Overview
ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate (CAS 321945-03-3), with molecular formula C20H26O5 and molecular weight 346.18 g/mol. IUPAC: ethyl 2-(6-hexyl-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate.
Chemical Property Profile of ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate
Property Insights of ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate
The XLogP value of 4.03542 indicates that ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate 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 (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate. Following Lipinski's Rule of Five, ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate 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 (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
The CAS number of ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate is 321945-03-3.
What is the molecular formula of ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
The molecular formula of ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate is C20H26O5.
What is the molecular weight of ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
The molecular weight of ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate is 346.18 g/mol.
Where can I buy ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
You can request a quote for ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (6-hexyl-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.