Benzoquinonium Chloride
TL;DR: Benzoquinonium Chloride (CAS 311-09-1) is a chemical compound with molecular formula C34H50Cl2N4O2 and molecular weight 616.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[3-[[4-[3-[benzyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium dichloride
Also Known As: Amilyt, Mytolon, Mytolon chloride, Benzoquinonium chloride, BENZOQUINONIUM DIBROMIDE
| Molecular Formula | C34H50Cl2N4O2 |
|---|---|
| Molecular Weight | 616.33 g/mol |
| LogP | -1.01 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 616.33105 |
| Heavy Atoms | 42 |
| Complexity | 774.0 |
Chemical Identifiers
| CAS Number | 311-09-1 |
|---|---|
| SMILES | CC[N+](CC)(CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](CC)(CC)CC2=CC=CC=C2)CC3=CC=CC=C3.[Cl-].[Cl-] |
| InChIKey | WQRJZLXQCYZJEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoquinonium Chloride (CAS 311-09-1), with molecular formula C34H50Cl2N4O2 and molecular weight 616.33 g/mol. IUPAC: benzyl-[3-[[4-[3-[benzyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium dichloride.
Chemical Property Profile of Benzoquinonium Chloride
Property Insights of Benzoquinonium Chloride
The XLogP value of -1.01 indicates that Benzoquinonium Chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.2 Ų, Benzoquinonium Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoquinonium Chloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoquinonium Chloride?
The CAS number of Benzoquinonium Chloride is 311-09-1.
What is the molecular formula of Benzoquinonium Chloride?
The molecular formula of Benzoquinonium Chloride is C34H50Cl2N4O2.
What is the molecular weight of Benzoquinonium Chloride?
The molecular weight of Benzoquinonium Chloride is 616.33 g/mol.
Where can I buy Benzoquinonium Chloride?
You can request a quote for Benzoquinonium Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoquinonium Chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoquinonium Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.