RefChem:319461
TL;DR: RefChem:319461 (CAS 66827-27-8) is a chemical compound with molecular formula C44H90Br2N2 and molecular weight 804.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]tetradecyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dibromide
Also Known As: C44H90N2.2Br.3/2H2O, C44-H90-N2.2Br.3/2H2-O, Tetradecamethylenebis(dimethyl(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)ammonium bromide), Ammonium, tetradecamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromide, sesquihydrate, 14-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]tetradecyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dibromide
| Molecular Formula | C44H90Br2N2 |
|---|---|
| Molecular Weight | 804.55 g/mol |
| LogP | 7.09 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 23 |
| Exact Mass | 806.54504 |
| Heavy Atoms | 48 |
| Complexity | 728.0 |
Chemical Identifiers
| CAS Number | 66827-27-8 |
|---|---|
| SMILES | CC1CCCC(C1CCC(C)[N+](C)(C)CCCCCCCCCCCCCC[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)(C)C.[Br-].[Br-] |
| InChIKey | VDVFLJODVMUFHB-UHFFFAOYSA-L |
Product Overview
RefChem:319461 (CAS 66827-27-8), with molecular formula C44H90Br2N2 and molecular weight 804.55 g/mol. IUPAC: 14-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]tetradecyl-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dibromide.
Chemical Property Profile of RefChem:319461
Property Insights of RefChem:319461
The XLogP value of 7.09 indicates that RefChem:319461 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:319461 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319461 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:319461?
The CAS number of RefChem:319461 is 66827-27-8.
What is the molecular formula of RefChem:319461?
The molecular formula of RefChem:319461 is C44H90Br2N2.
What is the molecular weight of RefChem:319461?
The molecular weight of RefChem:319461 is 804.55 g/mol.
Where can I buy RefChem:319461?
You can request a quote for RefChem:319461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319461?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.