1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol
TL;DR: 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol (CAS 2465-92-1) is a chemical compound with molecular formula C24H32N6O6 and molecular weight 500.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2,3,4,5,6-pentakis(2-cyanoethoxy)hexoxy]propanenitrile
Also Known As: 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)hexitol, 1,2,3,4,5,6-Hexakis(2-cyanoethoxy)hexane, 1,2,3,4,5,6-Hexakis-(cyanoethoxy)-hexane, Hexitol, 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)-, 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)hexitol #
| Molecular Formula | C24H32N6O6 |
|---|---|
| Molecular Weight | 500.24 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Exact Mass | 500.23834 |
| Heavy Atoms | 36 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 2465-92-1 |
|---|---|
| SMILES | C(COCC(C(C(C(COCCC#N)OCCC#N)OCCC#N)OCCC#N)OCCC#N)C#N |
| InChIKey | SIPCQLNTTKBLSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol (CAS 2465-92-1), with molecular formula C24H32N6O6 and molecular weight 500.24 g/mol. IUPAC: 3-[2,3,4,5,6-pentakis(2-cyanoethoxy)hexoxy]propanenitrile.
Chemical Property Profile of 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol
Property Insights of 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol
The XLogP value of -2.3 indicates that 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 198.0 Ų indicates high polarity, suggesting 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol?
The CAS number of 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol is 2465-92-1.
What is the molecular formula of 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol?
The molecular formula of 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol is C24H32N6O6.
What is the molecular weight of 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol?
The molecular weight of 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol is 500.24 g/mol.
Where can I buy 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol?
You can request a quote for 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.