3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate
TL;DR: 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate (CAS 315714-07-9) is a chemical compound with molecular formula C21H10BrF3O5S and molecular weight 509.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate
Also Known As: 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate, AE-641/15086250, [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate, 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-thiophenecarboxylate, 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl thiophene-2-carboxyla te
| Molecular Formula | C21H10BrF3O5S |
|---|---|
| Molecular Weight | 509.94 g/mol |
| LogP | 6.6473 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.93845 |
| Heavy Atoms | 31 |
| Complexity | 1329.3456 |
Chemical Identifiers
| CAS Number | 315714-07-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4)C(F)(F)F)Br |
Product Overview
3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate (CAS 315714-07-9), with molecular formula C21H10BrF3O5S and molecular weight 509.94 g/mol. IUPAC: [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate.
Chemical Property Profile of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate
Property Insights of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate
The XLogP value of 6.6473 indicates that 3-(2-bromophenoxy)-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-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate. Following Lipinski's Rule of Five, 3-(2-bromophenoxy)-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-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
The CAS number of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate is 315714-07-9.
What is the molecular formula of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
The molecular formula of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate is C21H10BrF3O5S.
What is the molecular weight of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
The molecular weight of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate is 509.94 g/mol.
Where can I buy 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
You can request a quote for 3-(2-bromophenoxy)-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-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-bromophenoxy)-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.