methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate
TL;DR: methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate (CAS 637753-57-2) is a chemical compound with molecular formula C25H25F3N2O7 and molecular weight 522.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
Also Known As: methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate, methyl 4-(7-hydroxy-8-{[4-(2-hydroxyethyl)piperazinyl]methyl}-4-oxo-2-(trifluo romethyl)chromen-3-yloxy)benzoate, METHYL 4-[(7-HYDROXY-8-{[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]METHYL}-4-OXO-2-(TRIFLUOROMETHYL)CHROMEN-3-YL)OXY]BENZOATE, methyl 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate, methyl 4-{[7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl]oxy}benzoate
| Molecular Formula | C25H25F3N2O7 |
|---|---|
| Molecular Weight | 522.16 g/mol |
| LogP | 3.2062 |
| Topological Polar Surface Area | 112.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.1614 |
| Heavy Atoms | 37 |
| Complexity | 1331.3403 |
Chemical Identifiers
| CAS Number | 637753-57-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCN(CC4)CCO)O)C(F)(F)F |
Product Overview
methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate (CAS 637753-57-2), with molecular formula C25H25F3N2O7 and molecular weight 522.16 g/mol. IUPAC: methyl 4-[7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate.
Chemical Property Profile of methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate
Property Insights of methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate
The XLogP value of 3.2062 indicates that methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-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 112.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate?
The CAS number of methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate is 637753-57-2.
What is the molecular formula of methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate?
The molecular formula of methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate is C25H25F3N2O7.
What is the molecular weight of methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate?
The molecular weight of methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl)oxy)benzoate is 522.16 g/mol.
Where can I buy methyl 4-((7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-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.