Dimethyl-alpha-cyclodextrin
TL;DR: Dimethyl-alpha-cyclodextrin (CAS 51166-72-4) is a chemical compound with molecular formula C48H84O30 and molecular weight 1140.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-32,34,36,38,40,42-hexamethoxy-5,10,15,20,25,30-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,33,35,37,39,41-hexol
Also Known As: Dimethyl-alpha-cyclodextrin, 15-methylhexadecanol, dimethyl-, A-cyclodextrin, 2,6-Dimethyl-alpha-cyclodextrin
| Molecular Formula | C48H84O30 |
|---|---|
| Molecular Weight | 1140.50 g/mol |
| LogP | -6.4 |
| Topological Polar Surface Area | 343.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 18 |
| Exact Mass | 1140.5048 |
| Heavy Atoms | 78 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 51166-72-4 |
|---|---|
| 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]3O)OC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)OC)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)OC)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)OC)O[C@@H]7[C@H](O[C@H](O2)[C@@H]([C@H]7O)OC)COC)COC)COC)COC)COC)OC)O |
| InChIKey | GTXJHJOCVPTNTP-MLJFYOOPSA-N |
Product Overview
Dimethyl-alpha-cyclodextrin (CAS 51166-72-4), with molecular formula C48H84O30 and molecular weight 1140.50 g/mol. IUPAC: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,32R,33S,34R,35S,36R,37S,38R,39S,40R,41S,42R)-32,34,36,38,40,42-hexamethoxy-5,10,15,20,25,30-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-31,33,35,37,39,41-hexol.
Chemical Property Profile of Dimethyl-alpha-cyclodextrin
Property Insights of Dimethyl-alpha-cyclodextrin
The XLogP value of -6.4 indicates that Dimethyl-alpha-cyclodextrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 343.0 Ų indicates high polarity, suggesting Dimethyl-alpha-cyclodextrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl-alpha-cyclodextrin has 6 hydrogen bond donor(s) and 30 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl-alpha-cyclodextrin?
The CAS number of Dimethyl-alpha-cyclodextrin is 51166-72-4.
What is the molecular formula of Dimethyl-alpha-cyclodextrin?
The molecular formula of Dimethyl-alpha-cyclodextrin is C48H84O30.
What is the molecular weight of Dimethyl-alpha-cyclodextrin?
The molecular weight of Dimethyl-alpha-cyclodextrin is 1140.50 g/mol.
Where can I buy Dimethyl-alpha-cyclodextrin?
You can request a quote for Dimethyl-alpha-cyclodextrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl-alpha-cyclodextrin?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl-alpha-cyclodextrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.