Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)-
TL;DR: Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)- (CAS 70776-98-6) is a chemical compound with molecular formula C10H17F3NiO4 and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexanoic acid;nickel;2,2,2-trifluoroacetic acid
Also Known As: Nickel(2+), (2-ethylhexanoato)(trifluoroacetato), Nickel, (2-ethylhexanoato-kappaO)(trifluoroacetato-kappaO)-, Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)-, Nickel, (2-ethylhexanoato-O)(trifluoroacetato-O)-, 2-ethylhexanoic acid,nickel,2,2,2-trifluoroacetic acid
| Molecular Formula | C10H17F3NiO4 |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 2.92 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.04324 |
| Heavy Atoms | 18 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 70776-98-6 |
|---|---|
| SMILES | CCCCC(CC)C(=O)O.C(=O)(C(F)(F)F)O.[Ni] |
| InChIKey | ALEHWDIPILHWRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)- (CAS 70776-98-6), with molecular formula C10H17F3NiO4 and molecular weight 316.04 g/mol. IUPAC: 2-ethylhexanoic acid;nickel;2,2,2-trifluoroacetic acid.
Chemical Property Profile of Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)-
Property Insights of Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)-
The XLogP value of 2.92 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)-. Following Lipinski's Rule of Five, Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)- has 2 hydrogen bond donor(s) and 7 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 Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)-?
The CAS number of Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)- is 70776-98-6.
What is the molecular formula of Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)-?
The molecular formula of Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)- is C10H17F3NiO4.
What is the molecular weight of Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)-?
The molecular weight of Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)- is 316.04 g/mol.
Where can I buy Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)-?
You can request a quote for Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)-?
Yes, KEHONG BIO provides custom synthesis services for Nickel, (2-ethylhexanoato-kappaO)(2,2,2-trifluoroacetato-kappaO)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.