Denatonium
TL;DR: Denatonium (CAS 47324-98-1) is a chemical compound with molecular formula C21H29N2O+ and molecular weight 325.23 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
Also Known As: Denatonium, Bitrex, Denatonium saccharide, DENATONIUM BENZOATE, DENATONIUM [VANDF]
| Molecular Formula | C21H29N2O+ |
|---|---|
| Molecular Weight | 325.23 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.228 |
| Heavy Atoms | 24 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 47324-98-1 |
|---|---|
| SMILES | CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C |
| InChIKey | ZFQMTVNLDNXRNQ-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Denatonium (CAS 47324-98-1), with molecular formula C21H29N2O+ and molecular weight 325.23 g/mol. IUPAC: benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium.
Chemical Property Profile of Denatonium
Property Insights of Denatonium
The XLogP value of 4.1 indicates that Denatonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, Denatonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Denatonium has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Denatonium?
The CAS number of Denatonium is 47324-98-1.
What is the molecular formula of Denatonium?
The molecular formula of Denatonium is C21H29N2O+.
What is the molecular weight of Denatonium?
The molecular weight of Denatonium is 325.23 g/mol.
Where can I buy Denatonium?
You can request a quote for Denatonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Denatonium?
Yes, KEHONG BIO provides custom synthesis services for Denatonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.