![ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate structure](/static/products/844/844451-73-6.png)
ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate
TL;DR: ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate (CAS 844451-73-6) is a chemical compound with molecular formula C26H30N2O6 and molecular weight 466.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxochromen-3-yl]oxybenzoate
Also Known As: ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate, F3385-3098, ethyl 4-((8-((4-ethylpiperazin-1-yl)methyl)-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate, ethyl 4-[8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxochromen-3-yl]oxybenzoate, Ethyl 4-[8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-chromen-3-yl]oxybenzoate
| Molecular Formula | C26H30N2O6 |
|---|---|
| Molecular Weight | 466.21 g/mol |
| LogP | 3.91352 |
| Topological Polar Surface Area | 92.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.2104 |
| Heavy Atoms | 34 |
| Complexity | 1226.7548 |
Chemical Identifiers
| CAS Number | 844451-73-6 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C)O |
Product Overview
ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate (CAS 844451-73-6), with molecular formula C26H30N2O6 and molecular weight 466.21 g/mol. IUPAC: ethyl 4-[8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxochromen-3-yl]oxybenzoate.
Chemical Property Profile of ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate
Property Insights of ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate
The XLogP value of 3.91352 indicates that ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate. Following Lipinski's Rule of Five, ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate has 1 hydrogen bond donor(s) and 8 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-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate?
The CAS number of ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate is 844451-73-6.
What is the molecular formula of ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate?
The molecular formula of ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate is C26H30N2O6.
What is the molecular weight of ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate?
The molecular weight of ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate is 466.21 g/mol.
Where can I buy ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate?
You can request a quote for ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.