Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin
TL;DR: Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin (CAS 111689-01-1) is a chemical compound with molecular formula C84H154O35 and molecular weight 1723.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecaethoxy-5,10,15,20,25,30,35-heptakis(ethoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane
Also Known As: Perethylated beta-cyclodextrin, Heptakis(2,3,6-tri-O-ethyl)-, A-cyclodextrin, 2,3,6-Tri-O-ethyl-, A-cyclodextrin
| Molecular Formula | C84H154O35 |
|---|---|
| Molecular Weight | 1723.03 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 323.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 35 |
| Rotatable Bonds | 49 |
| Exact Mass | 1723.0271 |
| Heavy Atoms | 119 |
| Complexity | 2120.0 |
Chemical Identifiers
| CAS Number | 111689-01-1 |
|---|---|
| SMILES | CCOC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OCC)OCC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4OCC)OCC)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OCC)OCC)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6OCC)OCC)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OCC)OCC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8OCC)OCC)COCC)COCC)COCC)COCC)COCC)COCC)OCC)OCC |
| InChIKey | OIXDATQKMIKIRF-XEHVGNMASA-N |
Product Overview
Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin (CAS 111689-01-1), with molecular formula C84H154O35 and molecular weight 1723.03 g/mol. IUPAC: (1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecaethoxy-5,10,15,20,25,30,35-heptakis(ethoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane.
Chemical Property Profile of Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin
Property Insights of Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin
The XLogP value of 3.9 indicates that Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 323.0 Ų indicates high polarity, suggesting Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin has 0 hydrogen bond donor(s) and 35 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin?
The CAS number of Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin is 111689-01-1.
What is the molecular formula of Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin?
The molecular formula of Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin is C84H154O35.
What is the molecular weight of Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin?
The molecular weight of Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin is 1723.03 g/mol.
Where can I buy Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin?
You can request a quote for Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin?
Yes, KEHONG BIO provides custom synthesis services for Heptakis(2,3,6-tri-O-ethyl)-|A-cyclodextrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.