尼可莫尔
TL;DR: 尼可莫尔 (CAS 5868-05-3) is a chemical compound with molecular formula C29H24N4O8 and molecular weight 556.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
尼可莫尔
[3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propyl] pyridine-3-carboxylate
Also Known As: niceritrol, Perycit, Bufor, Cardiolipol, Pentaerythritoltetranicotinate
| Molecular Formula | C29H24N4O8 |
|---|---|
| Molecular Weight | 556.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 556.1594 |
| Heavy Atoms | 41 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 5868-05-3 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
尼可莫尔 (CAS 5868-05-3), with molecular formula C29H24N4O8 and molecular weight 556.16 g/mol. IUPAC: [3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propyl] pyridine-3-carboxylate.
Chemical Property Profile of 尼可莫尔
Property Insights of 尼可莫尔
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 尼可莫尔. The TPSA of 157.0 Ų indicates high polarity, suggesting 尼可莫尔 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 尼可莫尔 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 尼可莫尔?
The CAS number of 尼可莫尔 is 5868-05-3.
What is the molecular formula of 尼可莫尔?
The molecular formula of 尼可莫尔 is C29H24N4O8.
What is the molecular weight of 尼可莫尔?
The molecular weight of 尼可莫尔 is 556.16 g/mol.
Where can I buy 尼可莫尔?
You can request a quote for 尼可莫尔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 尼可莫尔?
Yes, KEHONG BIO provides custom synthesis services for 尼可莫尔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.