Denatonium saccharide
TL;DR: Denatonium saccharide (CAS 90823-38-4) is a chemical compound with molecular formula C28H33N3O4S and molecular weight 507.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;1,1-dioxo-1,2-benzothiazol-3-olate
Also Known As: Denatonium saccharide, Neutral Violet Bl, Acid violet 68, denatonium sacharide, Denatoniumsaccharide
| Molecular Formula | C28H33N3O4S |
|---|---|
| Molecular Weight | 507.22 g/mol |
| LogP | 3.79 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.21918 |
| Heavy Atoms | 36 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 90823-38-4 |
|---|---|
| SMILES | CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-] |
| InChIKey | AOVWCKBXCSVODH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Denatonium saccharide (CAS 90823-38-4), with molecular formula C28H33N3O4S and molecular weight 507.22 g/mol. IUPAC: benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;1,1-dioxo-1,2-benzothiazol-3-olate.
Chemical Property Profile of Denatonium saccharide
Property Insights of Denatonium saccharide
The XLogP value of 3.79 indicates that Denatonium saccharide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Denatonium saccharide. Following Lipinski's Rule of Five, Denatonium saccharide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Denatonium saccharide?
The CAS number of Denatonium saccharide is 90823-38-4.
What is the molecular formula of Denatonium saccharide?
The molecular formula of Denatonium saccharide is C28H33N3O4S.
What is the molecular weight of Denatonium saccharide?
The molecular weight of Denatonium saccharide is 507.22 g/mol.
Where can I buy Denatonium saccharide?
You can request a quote for Denatonium saccharide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Denatonium saccharide?
Yes, KEHONG BIO provides custom synthesis services for Denatonium saccharide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.