Niceritrol
TL;DR: Niceritrol (CAS 5868-05-3) is a chemical compound with molecular formula C29H24N4O8 and molecular weight 556.1594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propyl] pyridine-3-carboxylate
Also Known As: niceritrol, Perycit, Bufor, Cardiolipol, Pentaerythritoltetranicotinate
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C29H24N4O8 |
| Molecular Weight | 556.1594 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 556.1594 Da |
| Heavy Atoms | 41 |
| Complexity | 745.0 |
| SMILES | C1=CC(=CN=C1)C(=O)OCC(COC(=O)C2=CN=CC=C2)(COC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4 |
| InChIKey | KUEUWHJGRZKESU-UHFFFAOYSA-N |
Product Description
Applications: Niceritrol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
Niceritrol (CAS 5868-05-3) is a pharmaceutical intermediate with the molecular formula C29H24N4O8 and a molecular weight of 556.16 g/mol. Synonyms include niceritrol and Perycit.
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 Niceritrol
Property Insights of Niceritrol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Niceritrol. The TPSA of 157.0 Ų indicates high polarity, suggesting Niceritrol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Niceritrol has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Niceritrol?
The CAS number of Niceritrol is 5868-05-3.
What is the molecular formula of Niceritrol?
The molecular formula of Niceritrol is C29H24N4O8.
What is the molecular weight of Niceritrol?
The molecular weight of Niceritrol is 556.1594 g/mol.
What are the applications of Niceritrol?
Niceritrol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Niceritrol?
You can request a quote for Niceritrol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Niceritrol?
Yes, CoreyChem provides custom synthesis services for Niceritrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.