Chemical Compound (C20H32N2NiO6+2)
TL;DR: Chemical Compound (C20H32N2NiO6+2) (CAS 7226-60-0) is a chemical compound with molecular formula C20H32N2NiO6+2 and molecular weight 454.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioxidanium;3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ide-1-carboxylic acid;3,8a-dihydro-1H-isoquinolin-2-ide-1-carboxylic acid;nickel(2+)
| Molecular Formula | C20H32N2NiO6+2 |
|---|---|
| Molecular Weight | 454.16 g/mol |
| LogP | 1.6726 |
| Topological Polar Surface Area | 168.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 454.16138 |
| Heavy Atoms | 29 |
| Complexity | 634.46094 |
Chemical Identifiers
| CAS Number | 7226-60-0 |
|---|---|
| SMILES | C1CCC2C(C1)CC[N-]C2C(=O)O.C1C=C2C=CC=CC2C([N-]1)C(=O)O.[OH3+].[OH3+].[Ni+2] |
Product Overview
Chemical Compound (C20H32N2NiO6+2) (CAS 7226-60-0), with molecular formula C20H32N2NiO6+2 and molecular weight 454.16 g/mol. IUPAC: dioxidanium;3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ide-1-carboxylic acid;3,8a-dihydro-1H-isoquinolin-2-ide-1-carboxylic acid;nickel(2+).
Chemical Property Profile of Chemical Compound (C20H32N2NiO6+2)
Property Insights of Chemical Compound (C20H32N2NiO6+2)
The XLogP value of 1.6726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chemical Compound (C20H32N2NiO6+2). The TPSA of 168.8 Ų indicates high polarity, suggesting Chemical Compound (C20H32N2NiO6+2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chemical Compound (C20H32N2NiO6+2) has 2 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 Chemical Compound (C20H32N2NiO6+2)?
The CAS number of Chemical Compound (C20H32N2NiO6+2) is 7226-60-0.
What is the molecular formula of Chemical Compound (C20H32N2NiO6+2)?
The molecular formula of Chemical Compound (C20H32N2NiO6+2) is C20H32N2NiO6+2.
What is the molecular weight of Chemical Compound (C20H32N2NiO6+2)?
The molecular weight of Chemical Compound (C20H32N2NiO6+2) is 454.16 g/mol.
Where can I buy Chemical Compound (C20H32N2NiO6+2)?
You can request a quote for Chemical Compound (C20H32N2NiO6+2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chemical Compound (C20H32N2NiO6+2)?
Yes, KEHONG BIO provides custom synthesis services for Chemical Compound (C20H32N2NiO6+2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.