Nicohexonium
TL;DR: Nicohexonium (CAS 4845-30-1) is a chemical compound with molecular formula C24H38N4O4 and molecular weight 446.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(pyridine-3-carboxylate);trimethyl-[6-(trimethylazaniumyl)hexyl]azanium
Also Known As: Hexonate, Nicohexonium, aldohexonates, hexonates, HEXONAT
| Molecular Formula | C24H38N4O4 |
|---|---|
| Molecular Weight | 446.29 g/mol |
| LogP | 0.8494 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.2893 |
| Heavy Atoms | 32 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 4845-30-1 |
|---|---|
| SMILES | C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC(=CN=C1)C(=O)[O-].C1=CC(=CN=C1)C(=O)[O-] |
| InChIKey | XQILZJGDWBRFIU-UHFFFAOYSA-L |
Product Overview
Nicohexonium (CAS 4845-30-1), with molecular formula C24H38N4O4 and molecular weight 446.29 g/mol. IUPAC: bis(pyridine-3-carboxylate);trimethyl-[6-(trimethylazaniumyl)hexyl]azanium.
Chemical Property Profile of Nicohexonium
Property Insights of Nicohexonium
The XLogP value of 0.8494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicohexonium. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicohexonium. Following Lipinski's Rule of Five, Nicohexonium has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nicohexonium?
The CAS number of Nicohexonium is 4845-30-1.
What is the molecular formula of Nicohexonium?
The molecular formula of Nicohexonium is C24H38N4O4.
What is the molecular weight of Nicohexonium?
The molecular weight of Nicohexonium is 446.29 g/mol.
Where can I buy Nicohexonium?
You can request a quote for Nicohexonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicohexonium?
Yes, KEHONG BIO provides custom synthesis services for Nicohexonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.