Ibutilide Fumarate
TL;DR: Ibutilide Fumarate (CAS 130350-52-6) is a chemical compound with molecular formula C44H76N4O10S2 and molecular weight 884.5003 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;bis(N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide)
Also Known As: IBUTILIDE FUMARATE, Corvert, Ibutilide hemifumarate, null, Ibutilide
Technical Specifications
| Molecular Formula | C44H76N4O10S2 |
| Molecular Weight | 884.5003 g/mol |
| XLogP | 8.0398 |
| Topological Polar Surface Area (TPSA) | 231.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 30 |
| Exact Mass | 884.5003 Da |
| Heavy Atoms | 60 |
| Complexity | 561.0 |
| SMILES | CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=C/C(=O)O)\C(=O)O |
| InChIKey | PCIOHQNIRPWFMV-WXXKFALUSA-N |
Chemical Property Profile of Ibutilide Fumarate
Property Insights of Ibutilide Fumarate
The XLogP value of 8.0398 indicates that Ibutilide Fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 231.0 Ų indicates high polarity, suggesting Ibutilide Fumarate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ibutilide Fumarate has 6 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 Ibutilide Fumarate?
The CAS number of Ibutilide Fumarate is 130350-52-6.
What is the molecular formula of Ibutilide Fumarate?
The molecular formula of Ibutilide Fumarate is C44H76N4O10S2.
What is the molecular weight of Ibutilide Fumarate?
The molecular weight of Ibutilide Fumarate is 884.5003 g/mol.
Where can I buy Ibutilide Fumarate?
You can request a quote for Ibutilide Fumarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ibutilide Fumarate?
Yes, CoreyChem provides custom synthesis services for Ibutilide Fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.