Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate
TL;DR: Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate (CAS 139365-17-6) is a chemical compound with molecular formula C49H76O34S and molecular weight 1240.3939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-(benzylsulfanylmethyl)-5,15,20,25,30,35-hexakis(hydroxymethyl)-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-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
Also Known As: b-Cyclodextrin, 6A-S-(phenylmethyl)-6A-thio-, benzylsulfanylmethyl-hexakis(hydroxymethyl)[?]tetradecol, Potassium tris(6-benzylthio-6-deoxy)-.beta.-cyclodextrin hexadecasulfate, Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate
Technical Specifications
| Molecular Formula | C49H76O34S |
| Molecular Weight | 1240.3939 g/mol |
| XLogP | -12.2 |
| Topological Polar Surface Area (TPSA) | 559.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 35 |
| Rotatable Bonds | 10 |
| Exact Mass | 1240.3939 Da |
| Heavy Atoms | 84 |
| Complexity | 2010.0 |
| SMILES | C1=CC=C(C=C1)CSCC2C3C(C(C(O2)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O3)C(C9O)O)CO)CO)CO)CO)CO)CO)O)O |
| InChIKey | LUPJYNGDLHGEEE-UHFFFAOYSA-N |
Chemical Property Profile of Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate
Property Insights of Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate
The XLogP value of -12.2 indicates that Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 559.0 Ų indicates high polarity, suggesting Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate has 20 hydrogen bond donor(s) and 35 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate?
The CAS number of Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate is 139365-17-6.
What is the molecular formula of Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate?
The molecular formula of Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate is C49H76O34S.
What is the molecular weight of Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate?
The molecular weight of Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate is 1240.3939 g/mol.
Where can I buy Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate?
You can request a quote for Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate?
Yes, CoreyChem provides custom synthesis services for Potassium tris(6-benzylthio-6-deoxy)-beta-cyclodextrin hexadecasulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.