1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol
TL;DR: 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol (CAS 3055-84-3) is a chemical compound with molecular formula C24H30N6O6 and molecular weight 498.22 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)cyclohexyl]oxypropanenitrile
Also Known As: hexakis-(cyanoethoxy)cyclohexane, Cyclohexane, 1,2,3,4,5,6-hexakis(2-cyanoethoxy)-, Benzene-1,2,3,4,5,6-hexakis(3-oxypropanenitrile), 1,2,3,4,5,6-Hexakis(2-cyanoethoxy)-cyclohexane, 1,3,4,5,6-Hexakis(2-cyanoethoxy)-cyclohexane
| Molecular Formula | C24H30N6O6 |
|---|---|
| Molecular Weight | 498.22 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 498.2227 |
| Heavy Atoms | 36 |
| Complexity | 735.0 |
Chemical Identifiers
| CAS Number | 3055-84-3 |
|---|---|
| SMILES | C(COC1C(C(C(C(C1OCCC#N)OCCC#N)OCCC#N)OCCC#N)OCCC#N)C#N |
| InChIKey | LMHMIJYIOJVNMJ-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)inositol (CAS 3055-84-3), with molecular formula C24H30N6O6 and molecular weight 498.22 g/mol. IUPAC: 3-[2,3,4,5,6-pentakis(2-cyanoethoxy)cyclohexyl]oxypropanenitrile.
Chemical Property Profile of 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol
Property Insights of 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol
The XLogP value of -2.3 indicates that 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol 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)inositol 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)inositol 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)inositol?
The CAS number of 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol is 3055-84-3.
What is the molecular formula of 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol?
The molecular formula of 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol is C24H30N6O6.
What is the molecular weight of 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol?
The molecular weight of 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol is 498.22 g/mol.
Where can I buy 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol?
You can request a quote for 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol 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)inositol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,6-Hexakis-O-(2-cyanoethyl)inositol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.