methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate
TL;DR: methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate (CAS 449740-87-8) is a chemical compound with molecular formula C20H15F3O5 and molecular weight 392.09 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]oxypropanoate
Also Known As: VU0510252-1, AB00952670-02, methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate, methyl 2-{[4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}propanoate, F3139-1428
| Molecular Formula | C20H15F3O5 |
|---|---|
| Molecular Weight | 392.09 g/mol |
| LogP | 4.4191 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.08716 |
| Heavy Atoms | 28 |
| Complexity | 1070.8767 |
Chemical Identifiers
| CAS Number | 449740-87-8 |
|---|---|
| SMILES | CC(C(=O)OC)OC1=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)propanoate (CAS 449740-87-8), with molecular formula C20H15F3O5 and molecular weight 392.09 g/mol. IUPAC: methyl 2-[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl]oxypropanoate.
Chemical Property Profile of methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate
Property Insights of methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate
The XLogP value of 4.4191 indicates that methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate 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)propanoate. Following Lipinski's Rule of Five, methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate 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)propanoate?
The CAS number of methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate is 449740-87-8.
What is the molecular formula of methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate?
The molecular formula of methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate is C20H15F3O5.
What is the molecular weight of methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate?
The molecular weight of methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate is 392.09 g/mol.
Where can I buy methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate?
You can request a quote for methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate 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)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.