![ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate structure](/static/products/846/846030-99-7.png)
ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate
TL;DR: ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate (CAS 846030-99-7) is a chemical compound with molecular formula C25H25F3N2O6 and molecular weight 506.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
Also Known As: ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate, ethyl 4-{[7-hydroxy-8-[(4-methylpiperazino)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl]oxy}benzoate, ethyl 4-((7-hydroxy-8-((4-methylpiperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate, ethyl 4-[7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate, ethyl 4-{7-hydroxy-8-[(4-methylpiperazinyl)methyl]-4-oxo-2-(trifluoromethyl)ch romen-3-yloxy}benzoate
| Molecular Formula | C25H25F3N2O6 |
|---|---|
| Molecular Weight | 506.17 g/mol |
| LogP | 4.2338 |
| Topological Polar Surface Area | 92.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.16647 |
| Heavy Atoms | 36 |
| Complexity | 1312.5947 |
Chemical Identifiers
| CAS Number | 846030-99-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCN(CC4)C)O)C(F)(F)F |
Product Overview
ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate (CAS 846030-99-7), with molecular formula C25H25F3N2O6 and molecular weight 506.17 g/mol. IUPAC: ethyl 4-[7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate.
Chemical Property Profile of ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate
Property Insights of ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate
The XLogP value of 4.2338 indicates that ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-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-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate. Following Lipinski's Rule of Five, ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate?
The CAS number of ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate is 846030-99-7.
What is the molecular formula of ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate?
The molecular formula of ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate is C25H25F3N2O6.
What is the molecular weight of ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate?
The molecular weight of ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate is 506.17 g/mol.
Where can I buy ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate?
You can request a quote for ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-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-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.