Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin
TL;DR: Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin (CAS 53784-84-2) is a chemical compound with molecular formula C48H72Br8O32 and molecular weight 1791.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,6S,8S,11S,13S,16S,18S,21S,23S,26S,28S,31S,33S,36S,38S)-5,10,15,20,25,30,35,40-octakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
Also Known As: Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin, (1S,3S,6S,8S,11S,13S,16S,18S,21S,23S,26S,28S,31S,33S,36S,38S)-5,10,15,20,25,30,35,40-Octakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
| Molecular Formula | C48H72Br8O32 |
|---|---|
| Molecular Weight | 1791.75 g/mol |
| LogP | -6.1856 |
| Topological Polar Surface Area | 471.36 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 8 |
| Exact Mass | 1791.7473 |
| Heavy Atoms | 88 |
| Complexity | 1733.2902 |
Chemical Identifiers
| CAS Number | 53784-84-2 |
|---|---|
| SMILES | C(C1[C@@H]2C(C([C@H](O1)O[C@@H]3C(O[C@@H](C(C3O)O)O[C@@H]4C(O[C@@H](C(C4O)O)O[C@@H]5C(O[C@@H](C(C5O)O)O[C@@H]6C(O[C@@H](C(C6O)O)O[C@@H]7C(O[C@@H](C(C7O)O)O[C@@H]8C(O[C@@H](C(C8O)O)O[C@@H]9C(O[C@H](O2)C(C9O)O)CBr)CBr)CBr)CBr)CBr)CBr)CBr)O)O)Br |
Product Overview
Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin (CAS 53784-84-2), with molecular formula C48H72Br8O32 and molecular weight 1791.75 g/mol. IUPAC: (1S,3S,6S,8S,11S,13S,16S,18S,21S,23S,26S,28S,31S,33S,36S,38S)-5,10,15,20,25,30,35,40-octakis(bromomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol.
Chemical Property Profile of Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin
Property Insights of Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin
The XLogP value of -6.1856 indicates that Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 471.36 Ų indicates high polarity, suggesting Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin has 16 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin?
The CAS number of Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin is 53784-84-2.
What is the molecular formula of Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin?
The molecular formula of Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin is C48H72Br8O32.
What is the molecular weight of Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin?
The molecular weight of Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin is 1791.75 g/mol.
Where can I buy Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin?
You can request a quote for Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin?
Yes, KEHONG BIO provides custom synthesis services for Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.