Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester
TL;DR: Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester (CAS 30100-40-4) is a chemical compound with molecular formula C30H62Cl2N2O4 and molecular weight 584.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[dimethyl-(2-octoxy-2-oxoethyl)azaniumyl]hexyl-dimethyl-(2-octoxy-2-oxoethyl)azanium dichloride
Also Known As: Hexamethylenebis((carboxymethyl)dimethylammonium) dichloride dioctyl ester, 1,6-Hexanediamine, N,N'-dicarboxymethyl-N,N'-dimethyl-, dimethochloride, dioctyl ester, AMMONIUM, HEXAMETHYLENEBIS((CARBOXYMETHYL)DIMETHYL-, DICHLORIDE, DIOCTYL ESTER, 6-[dimethyl-(2-octoxy-2-oxoethyl)azaniumyl]hexyl-dimethyl-(2-octoxy-2-oxoethyl)azanium dichloride, Ammonium, hexamethylenebis[(carboxymethyl)dimethyl-, dichloride,dioctyl ester
| Molecular Formula | C30H62Cl2N2O4 |
|---|---|
| Molecular Weight | 584.41 g/mol |
| LogP | 0.52 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 27 |
| Exact Mass | 584.4087 |
| Heavy Atoms | 38 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 30100-40-4 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCCCCCCC.[Cl-].[Cl-] |
| InChIKey | NCCXDNVUJSSRKM-UHFFFAOYSA-L |
Product Overview
Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester (CAS 30100-40-4), with molecular formula C30H62Cl2N2O4 and molecular weight 584.41 g/mol. IUPAC: 6-[dimethyl-(2-octoxy-2-oxoethyl)azaniumyl]hexyl-dimethyl-(2-octoxy-2-oxoethyl)azanium dichloride.
Chemical Property Profile of Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester
Property Insights of Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester
The XLogP value of 0.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester 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 Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester?
The CAS number of Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester is 30100-40-4.
What is the molecular formula of Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester?
The molecular formula of Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester is C30H62Cl2N2O4.
What is the molecular weight of Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester?
The molecular weight of Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester is 584.41 g/mol.
Where can I buy Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester?
You can request a quote for Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, hexamethylenebis((carboxymethyl)dimethyl-, dichloride, dioctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.