ChemDiv1_005750
TL;DR: ChemDiv1_005750 (CAS 303121-85-9) is a chemical compound with molecular formula C20H14BrF3O6 and molecular weight 485.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
Also Known As: ChemDiv1_005750, ethyl 2-{[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate, ethyl {[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}acetate, ethyl 2-((3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)acetate, ethyl 2-[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate
| Molecular Formula | C20H14BrF3O6 |
|---|---|
| Molecular Weight | 485.99 g/mol |
| LogP | 5.3085 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.99258 |
| Heavy Atoms | 30 |
| Complexity | 1139.5704 |
Chemical Identifiers
| CAS Number | 303121-85-9 |
|---|---|
| SMILES | CCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3Br |
Product Overview
ChemDiv1_005750 (CAS 303121-85-9), with molecular formula C20H14BrF3O6 and molecular weight 485.99 g/mol. IUPAC: ethyl 2-[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetate.
Chemical Property Profile of ChemDiv1_005750
Property Insights of ChemDiv1_005750
The XLogP value of 5.3085 indicates that ChemDiv1_005750 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005750. Following Lipinski's Rule of Five, ChemDiv1_005750 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 ChemDiv1_005750?
The CAS number of ChemDiv1_005750 is 303121-85-9.
What is the molecular formula of ChemDiv1_005750?
The molecular formula of ChemDiv1_005750 is C20H14BrF3O6.
What is the molecular weight of ChemDiv1_005750?
The molecular weight of ChemDiv1_005750 is 485.99 g/mol.
Where can I buy ChemDiv1_005750?
You can request a quote for ChemDiv1_005750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005750?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.