3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate
TL;DR: 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate (CAS 371223-77-7) is a chemical compound with molecular formula C23H15F3O6 and molecular weight 444.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] furan-2-carboxylate
Also Known As: 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate, [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] furan-2-carboxylate, 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl furan-2-carboxyl ate
| Molecular Formula | C23H15F3O6 |
|---|---|
| Molecular Weight | 444.08 g/mol |
| LogP | 6.03314 |
| Topological Polar Surface Area | 78.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.08206 |
| Heavy Atoms | 32 |
| Complexity | 1346.9985 |
Chemical Identifiers
| CAS Number | 371223-77-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CO4)C(F)(F)F)C |
Product Overview
3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate (CAS 371223-77-7), with molecular formula C23H15F3O6 and molecular weight 444.08 g/mol. IUPAC: [3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] furan-2-carboxylate.
Chemical Property Profile of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate
Property Insights of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate
The XLogP value of 6.03314 indicates that 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate. Following Lipinski's Rule of Five, 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate?
The CAS number of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate is 371223-77-7.
What is the molecular formula of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate?
The molecular formula of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate is C23H15F3O6.
What is the molecular weight of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate?
The molecular weight of 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate is 444.08 g/mol.
Where can I buy 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate?
You can request a quote for 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.