RefChem:319453
TL;DR: RefChem:319453 (CAS 66827-13-2) is a chemical compound with molecular formula C35H68Br2N2 and molecular weight 674.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]pentyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium dibromide
Also Known As: C35H68N2.2Br.3/2H2O, C35-H68-N2.2Br.3/2H2-O, Ammonium, pentamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, sesquihydrate, 5-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]pentyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium dibromide, AMMONIUM, PENTAMETHYLENEBIS(1-METHYL-3-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)PROPYL
| Molecular Formula | C35H68Br2N2 |
|---|---|
| Molecular Weight | 674.37 g/mol |
| LogP | 3.71 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 676.37286 |
| Heavy Atoms | 39 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 66827-13-2 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CCC(C)[N+](C)(C)CCCCC[N+](C)(C)C(C)CCC2=C(CCCC2(C)C)C.[Br-].[Br-] |
| InChIKey | LHQKSQBWOAFDNE-UHFFFAOYSA-L |
Product Overview
RefChem:319453 (CAS 66827-13-2), with molecular formula C35H68Br2N2 and molecular weight 674.37 g/mol. IUPAC: 5-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]pentyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium dibromide.
Chemical Property Profile of RefChem:319453
Property Insights of RefChem:319453
The XLogP value of 3.71 indicates that RefChem:319453 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:319453 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319453 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:319453?
The CAS number of RefChem:319453 is 66827-13-2.
What is the molecular formula of RefChem:319453?
The molecular formula of RefChem:319453 is C35H68Br2N2.
What is the molecular weight of RefChem:319453?
The molecular weight of RefChem:319453 is 674.37 g/mol.
Where can I buy RefChem:319453?
You can request a quote for RefChem:319453 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319453?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319453 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.