RefChem:318898
TL;DR: RefChem:318898 (CAS 58594-13-1) is a chemical compound with molecular formula C28H42Br2N2O4 and molecular weight 628.1511 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethoxyethyl-[2-[4-[4-[2-[2-ethoxyethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide
Also Known As: Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((2-ethoxyethyl)dimethyl-, dibromide, (4,4'-Biphenylylenebis(2-oxoethylene))bis((2-ethoxyethyl)dimethylammonium) dibromide, [1,1'-Biphenyl]-4,4'-diethanaminium, N,N'-bis(2-ethoxyethyl)-N,N,N',N'-tetramethyl-.beta.,.beta.'-dioxo-, dibromide, 2,2'-([1,1'-Biphenyl]-4,4'-diyl)bis[N-(2-ethoxyethyl)-N,N-dimethylethanamidium] dibromide, 2-ethoxyethyl-[2-[4-[4-[2-[2-ethoxyethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide
Technical Specifications
| Molecular Formula | C28H42Br2N2O4 |
| Molecular Weight | 628.1511 g/mol |
| XLogP | -2.27 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 630.1491 Da |
| Heavy Atoms | 36 |
| Complexity | 564.0 |
| SMILES | CCOCC[N+](C)(C)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCOCC.[Br-].[Br-] |
| InChIKey | ZIBXCOKSRSJVLA-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:318898
Property Insights of RefChem:318898
The XLogP value of -2.27 indicates that RefChem:318898 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:318898 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318898 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:318898?
The CAS number of RefChem:318898 is 58594-13-1.
What is the molecular formula of RefChem:318898?
The molecular formula of RefChem:318898 is C28H42Br2N2O4.
What is the molecular weight of RefChem:318898?
The molecular weight of RefChem:318898 is 628.1511 g/mol.
Where can I buy RefChem:318898?
You can request a quote for RefChem:318898 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:318898?
Yes, CoreyChem provides custom synthesis services for RefChem:318898 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.