Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate
TL;DR: Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate (CAS 100447-48-1) is a chemical compound with molecular formula C36H38N4O4S and molecular weight 622.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-aza-12-azoniapentacyclo[10.7.1.02,10.04,9.016,20]icosa-5,7,11,13,15,18-hexaene);sulfate
Also Known As: psi-Indolo(2',3'-1,2)juloline hemisulfate, C18H15N2.1/2HO4S, Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate, C18-H15-N2.1/2H-O4-S, Benz(ij)indolo(2,3-b)quinolizin-7-ium,hemisulfate
| Molecular Formula | C36H38N4O4S |
|---|---|
| Molecular Weight | 622.26 g/mol |
| LogP | 3.023 |
| Topological Polar Surface Area | 110.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 622.26135 |
| Heavy Atoms | 45 |
| Complexity | 1618.142 |
Chemical Identifiers
| CAS Number | 100447-48-1 |
|---|---|
| SMILES | C1C=CC2C3C(C=[N+]4C2C1=CC=C4)C5C=CC=CC5N3.C1C=CC2C3C(C=[N+]4C2C1=CC=C4)C5C=CC=CC5N3.[O-]S(=O)(=O)[O-] |
Product Overview
Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate (CAS 100447-48-1), with molecular formula C36H38N4O4S and molecular weight 622.26 g/mol. IUPAC: bis(3-aza-12-azoniapentacyclo[10.7.1.02,10.04,9.016,20]icosa-5,7,11,13,15,18-hexaene);sulfate.
Chemical Property Profile of Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate
Property Insights of Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate
The XLogP value of 3.023 indicates that Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate. Following Lipinski's Rule of Five, Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate?
The CAS number of Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate is 100447-48-1.
What is the molecular formula of Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate?
The molecular formula of Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate is C36H38N4O4S.
What is the molecular weight of Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate?
The molecular weight of Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate is 622.26 g/mol.
Where can I buy Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate?
You can request a quote for Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate?
Yes, KEHONG BIO provides custom synthesis services for Benz(ij)indolo(2,3-b)quinolizin-7-ium, hemisulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.