Benzoquinonium
TL;DR: Benzoquinonium (CAS 9025-57-4) is a chemical compound with molecular formula C34H50N4O2+2 and molecular weight 546.39 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
Also Known As: Benzoquinonium, Xylanase, Endoxylanase, Pentosanase, endo-1,4-beta-Xylanase
| Molecular Formula | C34H50N4O2+2 |
|---|---|
| Molecular Weight | 546.39 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 546.3934 |
| Heavy Atoms | 40 |
| Complexity | 774.0 |
Chemical Identifiers
| CAS Number | 9025-57-4 |
|---|---|
| SMILES | CC[N+](CC)(CCCNC1=CC(=O)C(=CC1=O)NCCC[N+](CC)(CC)CC2=CC=CC=C2)CC3=CC=CC=C3 |
| InChIKey | YERABYSOHUZTPQ-UHFFFAOYSA-P |
Product Overview
Benzoquinonium (CAS 9025-57-4), with molecular formula C34H50N4O2+2 and molecular weight 546.39 g/mol. IUPAC: benzyl-[3-[[4-[3-[benzyl(diethyl)azaniumyl]propylamino]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]propyl]-diethylazanium.
Chemical Property Profile of Benzoquinonium
Property Insights of Benzoquinonium
The XLogP value of 5.7 indicates that Benzoquinonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, Benzoquinonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoquinonium has 2 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 Benzoquinonium?
The CAS number of Benzoquinonium is 9025-57-4.
What is the molecular formula of Benzoquinonium?
The molecular formula of Benzoquinonium is C34H50N4O2+2.
What is the molecular weight of Benzoquinonium?
The molecular weight of Benzoquinonium is 546.39 g/mol.
Where can I buy Benzoquinonium?
You can request a quote for Benzoquinonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoquinonium?
Yes, KEHONG BIO provides custom synthesis services for Benzoquinonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.