![methyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate structure](/static/products/845/845635-76-9.png)
methyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate
TL;DR: methyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate (CAS 845635-76-9) is a chemical compound with molecular formula C24H23F3N2O6 and molecular weight 492.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
Also Known As: methyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate, methyl 4-((7-hydroxy-8-((4-methylpiperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate, methyl 4-[7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate, 4-[7-Hydroxy-8-(4-methyl-piperazin-1-ylmethyl)-4-oxo-2-trifluoromethyl-4H-chromen-3-yloxy]-benzoic acid methyl ester, methyl 4-{7-hydroxy-8-[(4-methylpiperazinyl)methyl]-4-oxo-2-(trifluoromethyl)c hromen-3-yloxy}benzoate
| Molecular Formula | C24H23F3N2O6 |
|---|---|
| Molecular Weight | 492.15 g/mol |
| LogP | 3.8437 |
| Topological Polar Surface Area | 92.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.15082 |
| Heavy Atoms | 35 |
| Complexity | 1295.8329 |
Chemical Identifiers
| CAS Number | 845635-76-9 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)C(F)(F)F)O |
Product Overview
methyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate (CAS 845635-76-9), with molecular formula C24H23F3N2O6 and molecular weight 492.15 g/mol. IUPAC: methyl 4-[7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate.
Chemical Property Profile of methyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate
Property Insights of methyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate
The XLogP value of 3.8437 indicates that methyl 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 methyl 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, methyl 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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate?
The CAS number of methyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate is 845635-76-9.
What is the molecular formula of methyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate?
The molecular formula of methyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate is C24H23F3N2O6.
What is the molecular weight of methyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate?
The molecular weight of methyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl}oxy)benzoate is 492.15 g/mol.
Where can I buy methyl 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 methyl 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 methyl 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 methyl 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.