RefChem:319469
TL;DR: RefChem:319469 (CAS 66827-30-3) is a chemical compound with molecular formula C50H84N2O6S2 and molecular weight 872.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium;bis(4-methylbenzenesulfonate)
Also Known As: C36H70N2.2C7H7O3S.3/2H2O, C36-H70-N2.2C7-H7-O3-S.3/2H2-O, Ammonium, tetramethylenebis(2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)butyl)bis(dimethyl-, bis(p-toluenesulfonate), sesquihydrate, 4-[Dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium; 4-methylbenzenesulfonate;4-methylbenzenesulfonate, AMMONIUM, TETRAMETHYLENEBIS(2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)BUTYL)
| Molecular Formula | C50H84N2O6S2 |
|---|---|
| Molecular Weight | 872.58 g/mol |
| LogP | 11.6 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 872.5771 |
| Heavy Atoms | 60 |
| Complexity | 932.0 |
Chemical Identifiers
| CAS Number | 66827-30-3 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CCC(C)C[N+](C)(C)CCCC[N+](C)(C)CC(C)CCC2=C(CCCC2(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | FZFSMRPRNMKAQE-UHFFFAOYSA-L |
Product Overview
RefChem:319469 (CAS 66827-30-3), with molecular formula C50H84N2O6S2 and molecular weight 872.58 g/mol. IUPAC: 4-[dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:319469
Property Insights of RefChem:319469
The XLogP value of 11.6 indicates that RefChem:319469 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319469. Following Lipinski's Rule of Five, RefChem:319469 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:319469?
The CAS number of RefChem:319469 is 66827-30-3.
What is the molecular formula of RefChem:319469?
The molecular formula of RefChem:319469 is C50H84N2O6S2.
What is the molecular weight of RefChem:319469?
The molecular weight of RefChem:319469 is 872.58 g/mol.
Where can I buy RefChem:319469?
You can request a quote for RefChem:319469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:319469?
Yes, KEHONG BIO provides custom synthesis services for RefChem:319469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.