Cetrimonium saccharinate
TL;DR: Cetrimonium saccharinate (CAS 2478-29-7) is a chemical compound with molecular formula C26H46N2O3S and molecular weight 466.32 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;hexadecyl(trimethyl)azanium
Also Known As: Cetrimonium saccharinate, PIONIN B 611S, Cetyltrimethylammonium saccharinate, CETRIMONIUM SACCHARINATE [INCI], CETYLTRIMETHYLAMMONIUM BENZOSULFIMIDE
| Molecular Formula | C26H46N2O3S |
|---|---|
| Molecular Weight | 466.32 g/mol |
| LogP | 5.67 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 466.3229 |
| Heavy Atoms | 32 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 2478-29-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-] |
| InChIKey | GDORIPGFFDIMOW-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cetrimonium saccharinate (CAS 2478-29-7), with molecular formula C26H46N2O3S and molecular weight 466.32 g/mol. IUPAC: 1,1-dioxo-1,2-benzothiazol-3-olate;hexadecyl(trimethyl)azanium.
Chemical Property Profile of Cetrimonium saccharinate
Property Insights of Cetrimonium saccharinate
The XLogP value of 5.67 indicates that Cetrimonium saccharinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Cetrimonium saccharinate. Following Lipinski's Rule of Five, Cetrimonium 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 Cetrimonium saccharinate?
The CAS number of Cetrimonium saccharinate is 2478-29-7.
What is the molecular formula of Cetrimonium saccharinate?
The molecular formula of Cetrimonium saccharinate is C26H46N2O3S.
What is the molecular weight of Cetrimonium saccharinate?
The molecular weight of Cetrimonium saccharinate is 466.32 g/mol.
Where can I buy Cetrimonium saccharinate?
You can request a quote for Cetrimonium saccharinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cetrimonium saccharinate?
Yes, KEHONG BIO provides custom synthesis services for Cetrimonium saccharinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.