2,3,6-tri-O-methyl-beta-cyclodextrin
TL;DR: 2,3,6-tri-O-methyl-beta-cyclodextrin (CAS 6337-68-4) is a chemical compound with molecular formula C63H112O35 and molecular weight 1428.70 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-tetradecamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-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: Trimethyl-beta-cyclodextrin, TOMBC, Trimethyl-, A-cyclodextrin, TRIMEB
| Molecular Formula | C63H112O35 |
|---|---|
| Molecular Weight | 1428.70 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 323.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 35 |
| Rotatable Bonds | 28 |
| Exact Mass | 1428.6984 |
| Heavy Atoms | 98 |
| Complexity | 1800.0 |
Chemical Identifiers
| CAS Number | 6337-68-4 |
|---|---|
| SMILES | COC[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]3OC)OC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4OC)OC)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OC)OC)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6OC)OC)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OC)OC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8OC)OC)COC)COC)COC)COC)COC)COC)OC)OC |
| InChIKey | DSDAICPXUXPBCC-MWDJDSKUSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,6-tri-O-methyl-beta-cyclodextrin (CAS 6337-68-4), with molecular formula C63H112O35 and molecular weight 1428.70 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-tetradecamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-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 2,3,6-tri-O-methyl-beta-cyclodextrin
Property Insights of 2,3,6-tri-O-methyl-beta-cyclodextrin
The XLogP value of -3.7 indicates that 2,3,6-tri-O-methyl-beta-cyclodextrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 323.0 Ų indicates high polarity, suggesting 2,3,6-tri-O-methyl-beta-cyclodextrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,6-tri-O-methyl-beta-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 2,3,6-tri-O-methyl-beta-cyclodextrin?
The CAS number of 2,3,6-tri-O-methyl-beta-cyclodextrin is 6337-68-4.
What is the molecular formula of 2,3,6-tri-O-methyl-beta-cyclodextrin?
The molecular formula of 2,3,6-tri-O-methyl-beta-cyclodextrin is C63H112O35.
What is the molecular weight of 2,3,6-tri-O-methyl-beta-cyclodextrin?
The molecular weight of 2,3,6-tri-O-methyl-beta-cyclodextrin is 1428.70 g/mol.
Where can I buy 2,3,6-tri-O-methyl-beta-cyclodextrin?
You can request a quote for 2,3,6-tri-O-methyl-beta-cyclodextrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-tri-O-methyl-beta-cyclodextrin?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-tri-O-methyl-beta-cyclodextrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.