RefChem:319387
TL;DR: RefChem:319387 (CAS 66967-71-3) is a chemical compound with molecular formula C48H98Br2N2 and molecular weight 860.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl]-[6-[[2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl]-dimethylazaniumyl]hexyl]-dimethylazanium dibromide
Also Known As: Ammonium, hexamethylenebis(2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl)bis(dimethyl-, dibromide, [2,6-Dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl]-[6-[[2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl]-dimethylazaniumyl]hexyl]-dimethylazaniumdibromide, AMMONIUM, HEXAMETHYLENEBIS(2,6-DIMETHYL-8-(2,2,6-TRIMETHYLCYCLOHEXYL)OCTYL)BIS(D, [2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl]-[6-[[2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl]-dimethylazaniumyl]hexyl]-dimethylazanium dibromide, 1,6-Hexanediaminium, N,N'-bis[2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl]-N,N,N',N'-tetramethyl-, dibromide
| Molecular Formula | C48H98Br2N2 |
|---|---|
| Molecular Weight | 860.61 g/mol |
| LogP | 8.08 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 25 |
| Exact Mass | 862.6076 |
| Heavy Atoms | 52 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 66967-71-3 |
|---|---|
| SMILES | CC1CCCC(C1CCC(C)CCCC(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)CCCC(C)CCC2C(CCCC2(C)C)C)(C)C.[Br-].[Br-] |
| InChIKey | SWDMZDDFLLVNLO-UHFFFAOYSA-L |
Product Overview
RefChem:319387 (CAS 66967-71-3), with molecular formula C48H98Br2N2 and molecular weight 860.61 g/mol. IUPAC: [2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl]-[6-[[2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl]-dimethylazaniumyl]hexyl]-dimethylazanium dibromide.
Chemical Property Profile of RefChem:319387
Property Insights of RefChem:319387
The XLogP value of 8.08 indicates that RefChem:319387 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, RefChem:319387 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319387 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 RefChem:319387?
The CAS number of RefChem:319387 is 66967-71-3.
What is the molecular formula of RefChem:319387?
The molecular formula of RefChem:319387 is C48H98Br2N2.
What is the molecular weight of RefChem:319387?
The molecular weight of RefChem:319387 is 860.61 g/mol.
Where can I buy RefChem:319387?
You can request a quote for RefChem:319387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319387?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.