Inositol Hexanicotinate
TL;DR: Inositol Hexanicotinate (CAS 6556-11-2) is a chemical compound with molecular formula C42H30N6O12 and molecular weight 810.1922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate
Also Known As: Inositol nicotinate, Inositol niacinate, inositol hexanicotinate, Hexanicotol, Dilexpal
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C42H30N6O12 |
| Molecular Weight | 810.1922 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 235.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 18 |
| Exact Mass | 810.1922 Da |
| Heavy Atoms | 60 |
| Complexity | 1210.0 |
| SMILES | C1=CC(=CN=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=O)C5=CN=CC=C5)OC(=O)C6=CN=CC=C6)OC(=O)C7=CN=CC=C7 |
| InChIKey | MFZCIDXOLLEMOO-UHFFFAOYSA-N |
Product Description
Applications: Inositol Hexanicotinate is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Inositol Hexanicotinate is a pharmaceutical intermediate identified by CAS number 6556-11-2 and the molecular formula C42H30N6O12 and a molecular weight of 810.19 g/mol. Synonyms include Inositol nicotinate and Inositol niacinate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Inositol Hexanicotinate
Property Insights of Inositol Hexanicotinate
The XLogP value of 3.3 indicates that Inositol Hexanicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 235.0 Ų indicates high polarity, suggesting Inositol Hexanicotinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Inositol Hexanicotinate has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Inositol Hexanicotinate?
The CAS number of Inositol Hexanicotinate is 6556-11-2.
What is the molecular formula of Inositol Hexanicotinate?
The molecular formula of Inositol Hexanicotinate is C42H30N6O12.
What is the molecular weight of Inositol Hexanicotinate?
The molecular weight of Inositol Hexanicotinate is 810.1922 g/mol.
What are the applications of Inositol Hexanicotinate?
Inositol Hexanicotinate is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Inositol Hexanicotinate?
You can request a quote for Inositol Hexanicotinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Inositol Hexanicotinate?
Yes, CoreyChem provides custom synthesis services for Inositol Hexanicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.