methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate
TL;DR: methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate (CAS 449740-31-2) is a chemical compound with molecular formula C19H13F3O5 and molecular weight 378.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate
Also Known As: VU0510251-1, methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate, AB01300722-01, F3139-1427, methyl 2-{[4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate
| Molecular Formula | C19H13F3O5 |
|---|---|
| Molecular Weight | 378.07 g/mol |
| LogP | 4.0306 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.0715 |
| Heavy Atoms | 27 |
| Complexity | 1038.8799 |
Chemical Identifiers
| CAS Number | 449740-31-2 |
|---|---|
| SMILES | COC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=CC=C3 |
Product Overview
methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate (CAS 449740-31-2), with molecular formula C19H13F3O5 and molecular weight 378.07 g/mol. IUPAC: methyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxyacetate.
Chemical Property Profile of methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate
Property Insights of methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate
The XLogP value of 4.0306 indicates that methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate. Following Lipinski's Rule of Five, methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate has 0 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 methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate?
The CAS number of methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate is 449740-31-2.
What is the molecular formula of methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate?
The molecular formula of methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate is C19H13F3O5.
What is the molecular weight of methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate?
The molecular weight of methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate is 378.07 g/mol.
Where can I buy methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate?
You can request a quote for methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.