Nickel lapachol
TL;DR: Nickel lapachol (CAS 127796-52-5) is a chemical compound with molecular formula C30H26NiO6 and molecular weight 540.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-(3-methylbut-2-enyl)-3,4-dioxonaphthalen-1-olate);nickel(2+)
Also Known As: Nickel lapachol, Lapachol, Ni deriv., 2-(3-methylbut-2-enyl)-3,4-dioxonaphthalen-1-olate;nickel(2+), 2-(3-methylbut-2-enyl)-3,4-dioxonaphthalen-1-olate; nickel(2+), Nickel(2+) bis[2-(3-methylbut-2-en-1-yl)-3,4-dioxo-3,4-dihydronaphthalen-1-olate]
| Molecular Formula | C30H26NiO6 |
|---|---|
| Molecular Weight | 540.11 g/mol |
| LogP | 3.7569 |
| Topological Polar Surface Area | 114.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 540.1083 |
| Heavy Atoms | 37 |
| Complexity | 1289.1549 |
Chemical Identifiers
| CAS Number | 127796-52-5 |
|---|---|
| SMILES | CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)[O-])C.CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)[O-])C.[Ni+2] |
Product Overview
Nickel lapachol (CAS 127796-52-5), with molecular formula C30H26NiO6 and molecular weight 540.11 g/mol. IUPAC: bis(2-(3-methylbut-2-enyl)-3,4-dioxonaphthalen-1-olate);nickel(2+).
Chemical Property Profile of Nickel lapachol
Property Insights of Nickel lapachol
The XLogP value of 3.7569 indicates that Nickel lapachol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Nickel lapachol. Following Lipinski's Rule of Five, Nickel lapachol has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nickel lapachol?
The CAS number of Nickel lapachol is 127796-52-5.
What is the molecular formula of Nickel lapachol?
The molecular formula of Nickel lapachol is C30H26NiO6.
What is the molecular weight of Nickel lapachol?
The molecular weight of Nickel lapachol is 540.11 g/mol.
Where can I buy Nickel lapachol?
You can request a quote for Nickel lapachol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nickel lapachol?
Yes, KEHONG BIO provides custom synthesis services for Nickel lapachol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.