AE-641/40789866
TL;DR: AE-641/40789866 (CAS 316126-82-6) is a chemical compound with molecular formula C22H18BrF3O6 and molecular weight 514.02 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]oxybutanoate
Also Known As: AE-641/40789866, ethyl 2-{[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl]oxy}butanoate, ethyl 2-[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxybutanoate, ethyl 2-((3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl)oxy)butanoate
| Molecular Formula | C22H18BrF3O6 |
|---|---|
| Molecular Weight | 514.02 g/mol |
| LogP | 6.0871 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.02386 |
| Heavy Atoms | 32 |
| Complexity | 1188.4802 |
Chemical Identifiers
| CAS Number | 316126-82-6 |
|---|---|
| SMILES | CCC(C(=O)OCC)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3Br |
Product Overview
AE-641/40789866 (CAS 316126-82-6), with molecular formula C22H18BrF3O6 and molecular weight 514.02 g/mol. IUPAC: ethyl 2-[3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxybutanoate.
Chemical Property Profile of AE-641/40789866
Property Insights of AE-641/40789866
The XLogP value of 6.0871 indicates that AE-641/40789866 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 AE-641/40789866. Following Lipinski's Rule of Five, AE-641/40789866 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 AE-641/40789866?
The CAS number of AE-641/40789866 is 316126-82-6.
What is the molecular formula of AE-641/40789866?
The molecular formula of AE-641/40789866 is C22H18BrF3O6.
What is the molecular weight of AE-641/40789866?
The molecular weight of AE-641/40789866 is 514.02 g/mol.
Where can I buy AE-641/40789866?
You can request a quote for AE-641/40789866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40789866?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40789866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.