1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide
TL;DR: 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide (CAS 67258-24-6) is a chemical compound with molecular formula C22H22N2+2 and molecular weight 314.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium
Also Known As: NCIStruc1_001188, NCIStruc2_001050, NCI60_003330, 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide, 2-(4-(25-isoquinolin-2-yl)butyl)-25-isoquinoline
| Molecular Formula | C22H22N2+2 |
|---|---|
| Molecular Weight | 314.18 g/mol |
| LogP | 4.0484 |
| Topological Polar Surface Area | 7.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.17828 |
| Heavy Atoms | 24 |
| Complexity | 894.0887 |
Chemical Identifiers
| CAS Number | 67258-24-6 |
|---|---|
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)CCCC[N+]3=CC4=CC=CC=C4C=C3 |
Product Overview
1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide (CAS 67258-24-6), with molecular formula C22H22N2+2 and molecular weight 314.18 g/mol. IUPAC: 2-(4-isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium.
Chemical Property Profile of 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide
Property Insights of 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide
The XLogP value of 4.0484 indicates that 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.76 Ų, 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide has 0 hydrogen bond donor(s) and 0 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 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide?
The CAS number of 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide is 67258-24-6.
What is the molecular formula of 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide?
The molecular formula of 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide is C22H22N2+2.
What is the molecular weight of 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide?
The molecular weight of 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide is 314.18 g/mol.
Where can I buy 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide?
You can request a quote for 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(isoquinolinium)-but-1,4-diyl dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.