Tetramethylcyclobutadiene nickel
TL;DR: Tetramethylcyclobutadiene nickel (CAS 76404-16-5) is a chemical compound with molecular formula C8H12Cl2Ni and molecular weight 235.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nickel(2+);1,2,3,4-tetramethylcyclobuta-1,3-diene;dichloride
Also Known As: TMCBN, Tetramethylcyclobutadiene nickel, Tetramethylcyclobutadiene nickel dichloride, nickel(2+);1,2,3,4-tetramethylcyclobuta-1,3-diene;dichloride, Nickel, dichloro((1,2,3,4-eta)-1,2,3,4-tetramethyl-1,3-cyclobutadiene)-
| Molecular Formula | C8H12Cl2Ni |
|---|---|
| Molecular Weight | 235.97 g/mol |
| LogP | -3.3217 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.96695 |
| Heavy Atoms | 11 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 76404-16-5 |
|---|---|
| SMILES | CC1=C(C(=C1C)C)C.[Cl-].[Cl-].[Ni+2] |
| InChIKey | BTQMCWRVAWJRCE-UHFFFAOYSA-L |
Product Overview
Tetramethylcyclobutadiene nickel (CAS 76404-16-5), with molecular formula C8H12Cl2Ni and molecular weight 235.97 g/mol. IUPAC: nickel(2+);1,2,3,4-tetramethylcyclobuta-1,3-diene;dichloride.
Chemical Property Profile of Tetramethylcyclobutadiene nickel
Property Insights of Tetramethylcyclobutadiene nickel
The XLogP value of -3.3217 indicates that Tetramethylcyclobutadiene nickel is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, Tetramethylcyclobutadiene nickel exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetramethylcyclobutadiene nickel has 0 hydrogen bond donor(s) and 2 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 Tetramethylcyclobutadiene nickel?
The CAS number of Tetramethylcyclobutadiene nickel is 76404-16-5.
What is the molecular formula of Tetramethylcyclobutadiene nickel?
The molecular formula of Tetramethylcyclobutadiene nickel is C8H12Cl2Ni.
What is the molecular weight of Tetramethylcyclobutadiene nickel?
The molecular weight of Tetramethylcyclobutadiene nickel is 235.97 g/mol.
Where can I buy Tetramethylcyclobutadiene nickel?
You can request a quote for Tetramethylcyclobutadiene nickel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetramethylcyclobutadiene nickel?
Yes, KEHONG BIO provides custom synthesis services for Tetramethylcyclobutadiene nickel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.