Hedaquinium
TL;DR: Hedaquinium (CAS 687601-03-2) is a chemical compound with molecular formula C34H46N2+2 and molecular weight 482.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium
Also Known As: Hedaquinium, Hedaquinium ion, Hedaquinium cation, Isoquinolinium, 2,2'-(1,16-hexadecanediyl)bis-, 2,2'-hexadecane-1,16-diyldiisoquinolinium
| Molecular Formula | C34H46N2+2 |
|---|---|
| Molecular Weight | 482.37 g/mol |
| LogP | 11.0 |
| Topological Polar Surface Area | 7.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 17 |
| Exact Mass | 482.3661 |
| Heavy Atoms | 36 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 687601-03-2 |
|---|---|
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3 |
| InChIKey | BKNJRWQHBQLPAQ-UHFFFAOYSA-N |
Product Overview
Hedaquinium (CAS 687601-03-2), with molecular formula C34H46N2+2 and molecular weight 482.37 g/mol. IUPAC: 2-(16-isoquinolin-2-ium-2-ylhexadecyl)isoquinolin-2-ium.
Chemical Property Profile of Hedaquinium
Property Insights of Hedaquinium
The XLogP value of 11.0 indicates that Hedaquinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.8 Ų, Hedaquinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hedaquinium has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hedaquinium?
The CAS number of Hedaquinium is 687601-03-2.
What is the molecular formula of Hedaquinium?
The molecular formula of Hedaquinium is C34H46N2+2.
What is the molecular weight of Hedaquinium?
The molecular weight of Hedaquinium is 482.37 g/mol.
Where can I buy Hedaquinium?
You can request a quote for Hedaquinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hedaquinium?
Yes, KEHONG BIO provides custom synthesis services for Hedaquinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.