Eplivanserin fumarate
TL;DR: Eplivanserin fumarate (CAS 130580-02-8) is a chemical compound with molecular formula C42H46F2N4O8 and molecular weight 772.32837 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;bis(4-[3-[2-(dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol)
Also Known As: Eplivanserin fumarate, Eplivanserin hemifumarate, SR 46349B, but-2-enedioic acid;4-[3-[2-(dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol
Technical Specifications
| Molecular Formula | C42H46F2N4O8 |
| Molecular Weight | 772.32837 g/mol |
| XLogP | 6.77 |
| Topological Polar Surface Area (TPSA) | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Exact Mass | 772.32837 Da |
| Heavy Atoms | 56 |
| Complexity | 537.0 |
| SMILES | CN(C)CCON=C(C=CC1=CC=C(C=C1)O)C2=CC=CC=C2F.CN(C)CCON=C(C=CC1=CC=C(C=C1)O)C2=CC=CC=C2F.C(=CC(=O)O)C(=O)O |
| InChIKey | RNLKLYQQDLHHBH-UHFFFAOYSA-N |
Chemical Property Profile of Eplivanserin fumarate
Property Insights of Eplivanserin fumarate
The XLogP value of 6.77 indicates that Eplivanserin fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting Eplivanserin fumarate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Eplivanserin fumarate has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Eplivanserin fumarate?
The CAS number of Eplivanserin fumarate is 130580-02-8.
What is the molecular formula of Eplivanserin fumarate?
The molecular formula of Eplivanserin fumarate is C42H46F2N4O8.
What is the molecular weight of Eplivanserin fumarate?
The molecular weight of Eplivanserin fumarate is 772.32837 g/mol.
Where can I buy Eplivanserin fumarate?
You can request a quote for Eplivanserin fumarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Eplivanserin fumarate?
Yes, CoreyChem provides custom synthesis services for Eplivanserin fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.