烟酸肌醇酯
TL;DR: 烟酸肌醇酯 (CAS 6556-11-2) is a chemical compound with molecular formula C42H30N6O12 and molecular weight 810.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟酸肌醇酯
[2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate
Also Known As: Inositol nicotinate, Inositol niacinate, inositol hexanicotinate, Hexanicotol, Dilexpal
| Molecular Formula | C42H30N6O12 |
|---|---|
| Molecular Weight | 810.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 18 |
| Exact Mass | 810.1922 |
| Heavy Atoms | 60 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 6556-11-2 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
烟酸肌醇酯 (CAS 6556-11-2), with molecular formula C42H30N6O12 and molecular weight 810.19 g/mol. IUPAC: [2,3,4,5,6-pentakis(pyridine-3-carbonyloxy)cyclohexyl] pyridine-3-carboxylate.
Chemical Property Profile of 烟酸肌醇酯
Property Insights of 烟酸肌醇酯
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 烟酸肌醇酯 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
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 810.19 g/mol.
Where can I buy Inositol Hexanicotinate?
You can request a quote for Inositol Hexanicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inositol Hexanicotinate?
Yes, KEHONG BIO provides custom synthesis services for Inositol Hexanicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.