4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate
TL;DR: 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate (CAS 449741-34-8) is a chemical compound with molecular formula C21H11F3O4S and molecular weight 416.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate
Also Known As: 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate, F3139-1456, [4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate, 4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl thiophene-2-carboxylate
| Molecular Formula | C21H11F3O4S |
|---|---|
| Molecular Weight | 416.03 g/mol |
| LogP | 5.7595 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.03302 |
| Heavy Atoms | 29 |
| Complexity | 1242.898 |
Chemical Identifiers
| CAS Number | 449741-34-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4)C(F)(F)F |
Product Overview
4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate (CAS 449741-34-8), with molecular formula C21H11F3O4S and molecular weight 416.03 g/mol. IUPAC: [4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate.
Chemical Property Profile of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate
Property Insights of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate
The XLogP value of 5.7595 indicates that 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
The CAS number of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate is 449741-34-8.
What is the molecular formula of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
The molecular formula of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate is C21H11F3O4S.
What is the molecular weight of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
The molecular weight of 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate is 416.03 g/mol.
Where can I buy 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
You can request a quote for 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.