RefChem:318817
TL;DR: RefChem:318817 (CAS 66968-01-2) is a chemical compound with molecular formula C33H68Cl2N2O and molecular weight 578.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]-2-hydroxypropyl]-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride
Also Known As: Ammonium, (2-hydroxytrimethylene)bis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride, dihydrate, [3-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]-2-hydroxypropyl]-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride, AMMONIUM, (2-HYDROXYTRIMETHYLENE)BIS(1-METHYL-3-(2,2,6-TRIMETHYLCYCLOHEXYL)PROPY, 1,3-Propanediaminium, 2-hydroxy-N,N,N',N'-tetramethyl-N,N'-bis[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]-, dichloride, dihydrate, 2-Hydroxy-N~1~,N~1~,N~3~,N~3~-tetramethyl-N~1~,N~3~-bis[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]propane-1,3-bis(aminium) dichloride
| Molecular Formula | C33H68Cl2N2O |
|---|---|
| Molecular Weight | 578.47 g/mol |
| LogP | 1.77 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 578.4709 |
| Heavy Atoms | 38 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 66968-01-2 |
|---|---|
| SMILES | CC1CCCC(C1CCC(C)[N+](C)(C)CC(C[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)O)(C)C.[Cl-].[Cl-] |
| InChIKey | OHINFQJUFNEOKA-UHFFFAOYSA-L |
Product Overview
RefChem:318817 (CAS 66968-01-2), with molecular formula C33H68Cl2N2O and molecular weight 578.47 g/mol. IUPAC: [3-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]-2-hydroxypropyl]-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride.
Chemical Property Profile of RefChem:318817
Property Insights of RefChem:318817
The XLogP value of 1.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318817. With a topological polar surface area (TPSA) of 20.2 Ų, RefChem:318817 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318817 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:318817?
The CAS number of RefChem:318817 is 66968-01-2.
What is the molecular formula of RefChem:318817?
The molecular formula of RefChem:318817 is C33H68Cl2N2O.
What is the molecular weight of RefChem:318817?
The molecular weight of RefChem:318817 is 578.47 g/mol.
Where can I buy RefChem:318817?
You can request a quote for RefChem:318817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318817?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.