Triclobisonium Chloride
TL;DR: Triclobisonium Chloride (CAS 79-90-3) is a chemical compound with molecular formula C36H74Cl2N2 and molecular weight 604.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride
Also Known As: Triclobisonium chloride, Triburon, Triburon chloride, Triclobisonii chloridum, triclobisoniumchloride
| Molecular Formula | C36H74Cl2N2 |
|---|---|
| Molecular Weight | 604.52 g/mol |
| LogP | 3.97 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 604.5229 |
| Heavy Atoms | 40 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 79-90-3 |
|---|---|
| SMILES | CC1CCCC(C1CCC(C)[N+](C)(C)CCCCCC[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)(C)C.[Cl-].[Cl-] |
| InChIKey | JMTNOKRGERWNME-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triclobisonium Chloride (CAS 79-90-3), with molecular formula C36H74Cl2N2 and molecular weight 604.52 g/mol. IUPAC: 6-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]hexyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride.
Chemical Property Profile of Triclobisonium Chloride
Property Insights of Triclobisonium Chloride
The XLogP value of 3.97 indicates that Triclobisonium Chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Triclobisonium Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triclobisonium Chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Triclobisonium Chloride?
The CAS number of Triclobisonium Chloride is 79-90-3.
What is the molecular formula of Triclobisonium Chloride?
The molecular formula of Triclobisonium Chloride is C36H74Cl2N2.
What is the molecular weight of Triclobisonium Chloride?
The molecular weight of Triclobisonium Chloride is 604.52 g/mol.
Where can I buy Triclobisonium Chloride?
You can request a quote for Triclobisonium Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triclobisonium Chloride?
Yes, KEHONG BIO provides custom synthesis services for Triclobisonium Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.