Lauryl isoquinolinium saccharinate
TL;DR: Lauryl isoquinolinium saccharinate (CAS 7444-81-7) is a chemical compound with molecular formula C28H36N2O3S and molecular weight 480.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-1,2-benzothiazol-3-olate;2-dodecylisoquinolin-2-ium
Also Known As: Laurylisoquinolinium benzosulfimide, LAURYL ISOQUINOLINIUM SACCHARINATE, LAURYLISOQUINOLINIUM SACCHARINATE, Isoquinolinium, 2-dodecyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1), Isoquinolinium, 2-dodecyl-, salt with 1,2-benzisothiazolin-3-one 1,1-dioxide (1:1)
| Molecular Formula | C28H36N2O3S |
|---|---|
| Molecular Weight | 480.24 g/mol |
| LogP | 5.54 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 480.24466 |
| Heavy Atoms | 34 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 7444-81-7 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-] |
| InChIKey | AVZICXRYXLCFCK-UHFFFAOYSA-M |
Product Overview
Lauryl isoquinolinium saccharinate (CAS 7444-81-7), with molecular formula C28H36N2O3S and molecular weight 480.24 g/mol. IUPAC: 1,1-dioxo-1,2-benzothiazol-3-olate;2-dodecylisoquinolin-2-ium.
Chemical Property Profile of Lauryl isoquinolinium saccharinate
Property Insights of Lauryl isoquinolinium saccharinate
The XLogP value of 5.54 indicates that Lauryl isoquinolinium saccharinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Lauryl isoquinolinium saccharinate. Following Lipinski's Rule of Five, Lauryl isoquinolinium saccharinate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lauryl isoquinolinium saccharinate?
The CAS number of Lauryl isoquinolinium saccharinate is 7444-81-7.
What is the molecular formula of Lauryl isoquinolinium saccharinate?
The molecular formula of Lauryl isoquinolinium saccharinate is C28H36N2O3S.
What is the molecular weight of Lauryl isoquinolinium saccharinate?
The molecular weight of Lauryl isoquinolinium saccharinate is 480.24 g/mol.
Where can I buy Lauryl isoquinolinium saccharinate?
You can request a quote for Lauryl isoquinolinium saccharinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lauryl isoquinolinium saccharinate?
Yes, KEHONG BIO provides custom synthesis services for Lauryl isoquinolinium saccharinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.