Amine ionophore I
TL;DR: Amine ionophore I (CAS 97600-45-8) is a chemical compound with molecular formula C66H72O18 and molecular weight 1152.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[38,39,40,41,42-pentakis(2-ethoxy-2-oxoethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaenyl]oxy]acetate
Also Known As: Amine ionophore I, tiemoniumiodide, Cesium ionophore I, Calix[6]arene hexakis(ethyl acetate), Calix[6]arene-hexaacetic acid hexaethylester
| Molecular Formula | C66H72O18 |
|---|---|
| Molecular Weight | 1152.47 g/mol |
| LogP | 9.1962 |
| Topological Polar Surface Area | 213.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Exact Mass | 1152.4719 |
| Heavy Atoms | 84 |
| Complexity | 2578.2764 |
Chemical Identifiers
| CAS Number | 97600-45-8 |
|---|---|
| SMILES | CCOC(=O)COC1=C2CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=C(C(=CC=C5)CC6=CC=CC(=C6OCC(=O)OCC)CC7=CC=CC(=C7OCC(=O)OCC)CC1=CC=C2)OCC(=O)OCC)OCC(=O)OCC)OCC(=O)OCC |
Product Overview
Amine ionophore I (CAS 97600-45-8), with molecular formula C66H72O18 and molecular weight 1152.47 g/mol. IUPAC: ethyl 2-[[38,39,40,41,42-pentakis(2-ethoxy-2-oxoethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaenyl]oxy]acetate.
Chemical Property Profile of Amine ionophore I
Property Insights of Amine ionophore I
The XLogP value of 9.1962 indicates that Amine ionophore I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 213.18 Ų indicates high polarity, suggesting Amine ionophore I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amine ionophore I has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amine ionophore I?
The CAS number of Amine ionophore I is 97600-45-8.
What is the molecular formula of Amine ionophore I?
The molecular formula of Amine ionophore I is C66H72O18.
What is the molecular weight of Amine ionophore I?
The molecular weight of Amine ionophore I is 1152.47 g/mol.
Where can I buy Amine ionophore I?
You can request a quote for Amine ionophore I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amine ionophore I?
Yes, KEHONG BIO provides custom synthesis services for Amine ionophore I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.