Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide
TL;DR: Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide (CAS 64047-56-9) is a chemical compound with molecular formula C18H26Br2N2 and molecular weight 428.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium dibromide
Also Known As: IN 306, ISOQUINOLINIUM, 2-(4-(1-METHYLPYRROLIDINIO)BUTYL)-, DIBROMIDE, Pyrrolidinium, 1-(4-(isoquinolinio)butyl)-1-methyl-, dibromide, 2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium dibromide, Isoquinolinium, 2-[4-(1-methylpyrrolidinio)butyl]-, dibromide
| Molecular Formula | C18H26Br2N2 |
|---|---|
| Molecular Weight | 428.05 g/mol |
| LogP | -2.84 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.04422 |
| Heavy Atoms | 22 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 64047-56-9 |
|---|---|
| SMILES | C[N+]1(CCCC1)CCCC[N+]2=CC3=CC=CC=C3C=C2.[Br-].[Br-] |
| InChIKey | ZMRKFJJMIJVTLK-UHFFFAOYSA-L |
Product Overview
Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide (CAS 64047-56-9), with molecular formula C18H26Br2N2 and molecular weight 428.05 g/mol. IUPAC: 2-[4-(1-methylpyrrolidin-1-ium-1-yl)butyl]isoquinolin-2-ium dibromide.
Chemical Property Profile of Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide
Property Insights of Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide
The XLogP value of -2.84 indicates that Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 3.9 Ų, Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide has 0 hydrogen bond donor(s) and 2 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 Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide?
The CAS number of Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide is 64047-56-9.
What is the molecular formula of Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide?
The molecular formula of Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide is C18H26Br2N2.
What is the molecular weight of Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide?
The molecular weight of Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide is 428.05 g/mol.
Where can I buy Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide?
You can request a quote for Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 2-(4-(1-methylpyrrolidinio)butyl)-, dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.