RefChem:1085169
TL;DR: RefChem:1085169 (CAS 3215-98-3) is a chemical compound with molecular formula C22H24F3NO5 and molecular weight 439.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate
Also Known As: Ethylamine, N,N-dimethyl-2-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, fumarate, N,N-Dimethyl-2-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)ethylamine fumarate, dimethyl-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]azanium; (E)-4-hydroxy-4-oxobut-2-enoate, Ethylamine, N,N-dimethyl-2-[[.alpha.-phenyl-m-(trifluoromethyl)benzyl]oxy]-, fumarate (1:1), RefChem:1085169
| Molecular Formula | C22H24F3NO5 |
|---|---|
| Molecular Weight | 439.16 g/mol |
| LogP | 1.333 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.16064 |
| Heavy Atoms | 31 |
| Complexity | 850.95013 |
Chemical Identifiers
| CAS Number | 3215-98-3 |
|---|---|
| SMILES | C[NH+](C)CCOC(C1=CC=CC=C1)C2=CC(=CC=C2)C(F)(F)F.C(=C/C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1085169 (CAS 3215-98-3), with molecular formula C22H24F3NO5 and molecular weight 439.16 g/mol. IUPAC: dimethyl-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]azanium;(E)-4-hydroxy-4-oxobut-2-enoate.
Chemical Property Profile of RefChem:1085169
Property Insights of RefChem:1085169
The XLogP value of 1.333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1085169. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1085169. Following Lipinski's Rule of Five, RefChem:1085169 has 2 hydrogen bond donor(s) and 4 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:1085169?
The CAS number of RefChem:1085169 is 3215-98-3.
What is the molecular formula of RefChem:1085169?
The molecular formula of RefChem:1085169 is C22H24F3NO5.
What is the molecular weight of RefChem:1085169?
The molecular weight of RefChem:1085169 is 439.16 g/mol.
Where can I buy RefChem:1085169?
You can request a quote for RefChem:1085169 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1085169?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1085169 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.