Denatonium chloride
TL;DR: Denatonium chloride (CAS 1674-99-3) is a chemical compound with molecular formula C21H29ClN2O and molecular weight 360.20 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 chloride
Also Known As: Denatonium Chloride, Denatoniumchloride, DENATONIUM CHLORIDE [VANDF], MSK160891-1000MW, Benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium chloride
| Molecular Formula | C21H29ClN2O |
|---|---|
| Molecular Weight | 360.20 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.19684 |
| Heavy Atoms | 25 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 1674-99-3 |
|---|---|
| SMILES | CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.[Cl-] |
| InChIKey | YNQALPDYZRNHNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Denatonium chloride (CAS 1674-99-3), with molecular formula C21H29ClN2O and molecular weight 360.20 g/mol. IUPAC: benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride.
Chemical Property Profile of Denatonium chloride
Property Insights of Denatonium chloride
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Denatonium chloride. With a topological polar surface area (TPSA) of 29.1 Ų, Denatonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Denatonium chloride has 1 hydrogen bond donor(s) and 2 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 chloride?
The CAS number of Denatonium chloride is 1674-99-3.
What is the molecular formula of Denatonium chloride?
The molecular formula of Denatonium chloride is C21H29ClN2O.
What is the molecular weight of Denatonium chloride?
The molecular weight of Denatonium chloride is 360.20 g/mol.
Where can I buy Denatonium chloride?
You can request a quote for Denatonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Denatonium chloride?
Yes, KEHONG BIO provides custom synthesis services for Denatonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.