3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate
TL;DR: 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate (CAS 315714-08-0) is a chemical compound with molecular formula C17H10BrF3O6S and molecular weight 477.93 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] methanesulfonate
Also Known As: 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate, VU0510241-1, AB01315797-02, F3139-1400, [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] methanesulfonate
| Molecular Formula | C17H10BrF3O6S |
|---|---|
| Molecular Weight | 477.93 g/mol |
| LogP | 4.705 |
| Topological Polar Surface Area | 82.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 477.93335 |
| Heavy Atoms | 28 |
| Complexity | 1217.7703 |
Chemical Identifiers
| CAS Number | 315714-08-0 |
|---|---|
| SMILES | CS(=O)(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3Br |
Product Overview
3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate (CAS 315714-08-0), with molecular formula C17H10BrF3O6S and molecular weight 477.93 g/mol. IUPAC: [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] methanesulfonate.
Chemical Property Profile of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate
Property Insights of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate
The XLogP value of 4.705 indicates that 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate. Following Lipinski's Rule of Five, 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate has 0 hydrogen bond donor(s) and 6 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 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate?
The CAS number of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate is 315714-08-0.
What is the molecular formula of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate?
The molecular formula of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate is C17H10BrF3O6S.
What is the molecular weight of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate?
The molecular weight of 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate is 477.93 g/mol.
Where can I buy 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate?
You can request a quote for 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate 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 methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.