![4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester structure](/static/products/920/92003-62-8.png)
4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester
TL;DR: 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester (CAS 92003-62-8) is a chemical compound with molecular formula C90H120O18 and molecular weight 1488.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5,11,17,23,29,35-hexatert-butyl-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(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]acetate
Also Known As: Cesium ionophore II, ISAZOPHOS, 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester, p-tert-Butylcalix[6]arene hexakis(ethyl acetate), I14-56205
| Molecular Formula | C90H120O18 |
|---|---|
| Molecular Weight | 1488.85 g/mol |
| LogP | 16.9812 |
| Topological Polar Surface Area | 213.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Exact Mass | 1488.8474 |
| Heavy Atoms | 108 |
| Complexity | 3370.737 |
Chemical Identifiers
| CAS Number | 92003-62-8 |
|---|---|
| SMILES | CCOC(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)OCC)CC4=CC(=CC(=C4OCC(=O)OCC)CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)C)CC7=C(C(=CC(=C7)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)OCC)OCC(=O)OCC)OCC(=O)OCC)C(C)(C)C)C(C)(C)C |
Product Overview
4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester (CAS 92003-62-8), with molecular formula C90H120O18 and molecular weight 1488.85 g/mol. IUPAC: ethyl 2-[[5,11,17,23,29,35-hexatert-butyl-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(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]acetate.
Chemical Property Profile of 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester
Property Insights of 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester
The XLogP value of 16.9812 indicates that 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 213.18 Ų indicates high polarity, suggesting 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester 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 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester?
The CAS number of 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester is 92003-62-8.
What is the molecular formula of 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester?
The molecular formula of 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester is C90H120O18.
What is the molecular weight of 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester?
The molecular weight of 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester is 1488.85 g/mol.
Where can I buy 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester?
You can request a quote for 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.