1-(4-Methylphenyl)butane-1,3-dione;nickel
TL;DR: 1-(4-Methylphenyl)butane-1,3-dione;nickel (CAS 54438-67-4) is a chemical compound with molecular formula C22H24NiO4 and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-(4-methylphenyl)butane-1,3-dione);nickel
Also Known As: Nickel,3-butanedionato-O,O']-, 1-(4-methylphenyl)butane-1,3-dione;nickel, 2,4,6,N-Tetramethyl-N-phenylbenzenesulfonamide, Nickel, bis[1-(4-methylphenyl)-1,3-butanedionato-O,O']-, Bis[1-(4-methylphenyl)butane-1,3-dione-kappa~2~O~1~,O~3~]nickel
| Molecular Formula | C22H24NiO4 |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 4.31114 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.1028 |
| Heavy Atoms | 27 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 54438-67-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(=O)C.CC1=CC=C(C=C1)C(=O)CC(=O)C.[Ni] |
| InChIKey | OOLSQSZHGSQWGN-UHFFFAOYSA-N |
Product Overview
1-(4-Methylphenyl)butane-1,3-dione;nickel (CAS 54438-67-4), with molecular formula C22H24NiO4 and molecular weight 410.10 g/mol. IUPAC: bis(1-(4-methylphenyl)butane-1,3-dione);nickel.
Chemical Property Profile of 1-(4-Methylphenyl)butane-1,3-dione;nickel
Property Insights of 1-(4-Methylphenyl)butane-1,3-dione;nickel
The XLogP value of 4.31114 indicates that 1-(4-Methylphenyl)butane-1,3-dione;nickel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylphenyl)butane-1,3-dione;nickel. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)butane-1,3-dione;nickel has 0 hydrogen bond donor(s) and 4 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 1-(4-Methylphenyl)butane-1,3-dione;nickel?
The CAS number of 1-(4-Methylphenyl)butane-1,3-dione;nickel is 54438-67-4.
What is the molecular formula of 1-(4-Methylphenyl)butane-1,3-dione;nickel?
The molecular formula of 1-(4-Methylphenyl)butane-1,3-dione;nickel is C22H24NiO4.
What is the molecular weight of 1-(4-Methylphenyl)butane-1,3-dione;nickel?
The molecular weight of 1-(4-Methylphenyl)butane-1,3-dione;nickel is 410.10 g/mol.
Where can I buy 1-(4-Methylphenyl)butane-1,3-dione;nickel?
You can request a quote for 1-(4-Methylphenyl)butane-1,3-dione;nickel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)butane-1,3-dione;nickel?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)butane-1,3-dione;nickel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.