RefChem:345189
TL;DR: RefChem:345189 (CAS 807-97-6) is a chemical compound with molecular formula C22H26F3NO6 and molecular weight 457.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethoxy]ethyl]azanium;2-hydroxy-2-oxoacetate
Also Known As: Ethylamine, N,N-dimethyl-2-(2-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)ethoxy)-, oxalate, dimethyl-[2-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethoxy]ethyl]azanium; 2-hydroxy-2-oxoacetate, ETHYLAMINE, N,N-DIMETHYL-2-(2-(alpha-(alpha,alpha,alpha-TRIFLUORO-o-TOLYL)BENZYL, Ethylamine, N,N-dimethyl-2-[2-[[.alpha.-phenyl-o-(trifluoromethyl)benzyl]oxy]ethoxy]-, oxalate (1:1), RefChem:345189
| Molecular Formula | C22H26F3NO6 |
|---|---|
| Molecular Weight | 457.17 g/mol |
| LogP | 0.79 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 457.17123 |
| Heavy Atoms | 32 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 807-97-6 |
|---|---|
| SMILES | C[NH+](C)CCOCCOC(C1=CC=CC=C1)C2=CC=CC=C2C(F)(F)F.C(=O)(C(=O)[O-])O |
| InChIKey | CSDQSEVMIRYODQ-UHFFFAOYSA-N |
Product Overview
RefChem:345189 (CAS 807-97-6), with molecular formula C22H26F3NO6 and molecular weight 457.17 g/mol. IUPAC: dimethyl-[2-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethoxy]ethyl]azanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:345189
Property Insights of RefChem:345189
The XLogP value of 0.79 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:345189. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:345189. Following Lipinski's Rule of Five, RefChem:345189 has 2 hydrogen bond donor(s) and 9 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 RefChem:345189?
The CAS number of RefChem:345189 is 807-97-6.
What is the molecular formula of RefChem:345189?
The molecular formula of RefChem:345189 is C22H26F3NO6.
What is the molecular weight of RefChem:345189?
The molecular weight of RefChem:345189 is 457.17 g/mol.
Where can I buy RefChem:345189?
You can request a quote for RefChem:345189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:345189?
Yes, KEHONG BIO provides custom synthesis services for RefChem:345189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.