RefChem:1097594
TL;DR: RefChem:1097594 (CAS 1526-66-5) is a chemical compound with molecular formula C24H26F3NO5 and molecular weight 465.1763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;1-[2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine
Also Known As: 1-(2-(alpha-(alpha,alpha,alpha-Trifluoro-p-tolyl)benzyloxy)ethyl)pyrrolidine fumarate, Pyrrolidine, 1-(2-(alpha-(alpha,alpha,alpha-trifluoro-p-tolyl)benzyloxy)ethyl)-, fumarate, (E)-but-2-enedioic acid; 1-[2-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine, Pyrrolidine, 1-[2-[[.alpha.-phenyl-p-(trifluoromethyl)benzyl]oxy]ethyl]-, fumarate (1:1)
Technical Specifications
| Molecular Formula | C24H26F3NO5 |
| Molecular Weight | 465.1763 g/mol |
| XLogP | 4.619 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.1763 Da |
| Heavy Atoms | 33 |
| Complexity | 500.0 |
| SMILES | C1CCN(C1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F.C(=C/C(=O)O)\C(=O)O |
| InChIKey | JEFQKWSHJPDUOI-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1097594
Property Insights of RefChem:1097594
The XLogP value of 4.619 indicates that RefChem:1097594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1097594. Following Lipinski's Rule of Five, RefChem:1097594 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
What is the CAS number of RefChem:1097594?
The CAS number of RefChem:1097594 is 1526-66-5.
What is the molecular formula of RefChem:1097594?
The molecular formula of RefChem:1097594 is C24H26F3NO5.
What is the molecular weight of RefChem:1097594?
The molecular weight of RefChem:1097594 is 465.1763 g/mol.
Where can I buy RefChem:1097594?
You can request a quote for RefChem:1097594 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1097594?
Yes, CoreyChem provides custom synthesis services for RefChem:1097594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.