RefChem:319385
TL;DR: RefChem:319385 (CAS 72017-47-1) is a chemical compound with molecular formula C36H70Br2N2 and molecular weight 688.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[dimethyl-[2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium dibromide
Also Known As: Ammonium, hexamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, hydrate, 6-[Dimethyl-[3-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]hexyl-dimethyl-[2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]azanium dibromide, AMMONIUM, HEXAMETHYLENEBIS(1-METHYL-3-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)PROPYL), 1,6-Hexanediaminium, N,N,N',N'-tetramethyl-N,N'-bis[1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl]-, dibromide, monohydrate, 6-[dimethyl-[2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium dibromide
| Molecular Formula | C36H70Br2N2 |
|---|---|
| Molecular Weight | 688.39 g/mol |
| LogP | 3.81 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 690.38855 |
| Heavy Atoms | 40 |
| Complexity | 807.0 |
Chemical Identifiers
| CAS Number | 72017-47-1 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CC(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCC(C)C2=C(CCCC2(C)C)C.[Br-].[Br-] |
| InChIKey | GSBPBVBSTZZEIA-UHFFFAOYSA-L |
Product Overview
RefChem:319385 (CAS 72017-47-1), with molecular formula C36H70Br2N2 and molecular weight 688.39 g/mol. IUPAC: 6-[dimethyl-[2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium dibromide.
Chemical Property Profile of RefChem:319385
Property Insights of RefChem:319385
The XLogP value of 3.81 indicates that RefChem:319385 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:319385 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319385 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:319385?
The CAS number of RefChem:319385 is 72017-47-1.
What is the molecular formula of RefChem:319385?
The molecular formula of RefChem:319385 is C36H70Br2N2.
What is the molecular weight of RefChem:319385?
The molecular weight of RefChem:319385 is 688.39 g/mol.
Where can I buy RefChem:319385?
You can request a quote for RefChem:319385 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319385?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319385 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.