Bisdequalinium
TL;DR: Bisdequalinium (CAS 20306-19-8) is a chemical compound with molecular formula C40H58N4+2 and molecular weight 594.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
39,42-dimethyl-20,31-diaza-1,12-diazoniapentacyclo[30.6.2.212,19.013,18.033,38]dotetraconta-1(39),12(42),13,15,17,19(41),32(40),33,35,37-decaene
Also Known As: Bisdequalinium, bis-dequalinium, Bisdequalinium ion, bisdequalinium chloride, Bisdequalinium cation
| Molecular Formula | C40H58N4+2 |
|---|---|
| Molecular Weight | 594.47 g/mol |
| LogP | 12.0 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 594.4661 |
| Heavy Atoms | 44 |
| Complexity | 696.0 |
Chemical Identifiers
| CAS Number | 20306-19-8 |
|---|---|
| SMILES | CC1=[N+]2CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)NCCCCCCCCCCNC(=C1)C5=CC=CC=C52)C |
| InChIKey | ZFWYZPJOMMIRAM-UHFFFAOYSA-P |
Product Overview
Bisdequalinium (CAS 20306-19-8), with molecular formula C40H58N4+2 and molecular weight 594.47 g/mol. IUPAC: 39,42-dimethyl-20,31-diaza-1,12-diazoniapentacyclo[30.6.2.212,19.013,18.033,38]dotetraconta-1(39),12(42),13,15,17,19(41),32(40),33,35,37-decaene.
Chemical Property Profile of Bisdequalinium
Property Insights of Bisdequalinium
The XLogP value of 12.0 indicates that Bisdequalinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, Bisdequalinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bisdequalinium has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bisdequalinium?
The CAS number of Bisdequalinium is 20306-19-8.
What is the molecular formula of Bisdequalinium?
The molecular formula of Bisdequalinium is C40H58N4+2.
What is the molecular weight of Bisdequalinium?
The molecular weight of Bisdequalinium is 594.47 g/mol.
Where can I buy Bisdequalinium?
You can request a quote for Bisdequalinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bisdequalinium?
Yes, KEHONG BIO provides custom synthesis services for Bisdequalinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.