Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1)
TL;DR: Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1) (CAS 64092-23-5) is a chemical compound with molecular formula C48H52N4NiO9 and molecular weight 886.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-benzoylbenzoate);bis(3-(1-methylpyrrolidin-2-yl)pyridine);nickel(2+);trihydrate
Also Known As: Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1), Nickel(2+) 2-benzoylbenzoate--3-(1-methylpyrrolidin-2-yl)pyridine--water (1/2/2/3), 2-benzoylbenzoate; 3-(1-methylpyrrolidin-2-yl)pyridine; nickel(2+); trihydrate, Nickel, bis(2-benzoylbenzoato)bis(3-(1-methyl-2-pyrrolidinyl)pyridine)-, trihydrate, Nickel,bis(2-benzoylbenzoato-O1)bis[3-(1-methyl-2-pyrrolidinyl)pyridine-N1]-,trihydrate (9CI)
| Molecular Formula | C48H52N4NiO9 |
|---|---|
| Molecular Weight | 886.31 g/mol |
| LogP | 3.7822 |
| Topological Polar Surface Area | 241.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 886.3088 |
| Heavy Atoms | 62 |
| Complexity | 2093.1365 |
Chemical Identifiers
| CAS Number | 64092-23-5 |
|---|---|
| SMILES | CN1CCCC1C2=CN=CC=C2.CN1CCCC1C2=CN=CC=C2.C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)[O-].C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)[O-].O.O.O.[Ni+2] |
Product Overview
Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1) (CAS 64092-23-5), with molecular formula C48H52N4NiO9 and molecular weight 886.31 g/mol. IUPAC: bis(2-benzoylbenzoate);bis(3-(1-methylpyrrolidin-2-yl)pyridine);nickel(2+);trihydrate.
Chemical Property Profile of Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1)
Property Insights of Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1)
The XLogP value of 3.7822 indicates that Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 241.16 Ų indicates high polarity, suggesting Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1) has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1)?
The CAS number of Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1) is 64092-23-5.
What is the molecular formula of Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1)?
The molecular formula of Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1) is C48H52N4NiO9.
What is the molecular weight of Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1)?
The molecular weight of Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1) is 886.31 g/mol.
Where can I buy Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1)?
You can request a quote for Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Nicotine, compd. with nickel(II) o-benzoyl benzoate trihydrate (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.