3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate
TL;DR: 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate (CAS 315714-94-4) is a chemical compound with molecular formula C25H19F3O5S and molecular weight 488.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate
Also Known As: 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate, AE-641/15086254, F0916-1176, [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate, 3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate
| Molecular Formula | C25H19F3O5S |
|---|---|
| Molecular Weight | 488.09 g/mol |
| LogP | 7.1823 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.0905 |
| Heavy Atoms | 34 |
| Complexity | 1396.2483 |
Chemical Identifiers
| CAS Number | 315714-94-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4)C(F)(F)F |
Product Overview
3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate (CAS 315714-94-4), with molecular formula C25H19F3O5S and molecular weight 488.09 g/mol. IUPAC: [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate.
Chemical Property Profile of 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate
Property Insights of 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate
The XLogP value of 7.1823 indicates that 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate 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 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate. Following Lipinski's Rule of Five, 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-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-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
The CAS number of 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate is 315714-94-4.
What is the molecular formula of 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
The molecular formula of 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate is C25H19F3O5S.
What is the molecular weight of 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
The molecular weight of 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate is 488.09 g/mol.
Where can I buy 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
You can request a quote for 3-(4-(tert-butyl)phenoxy)-4-oxo-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 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(tert-butyl)phenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.