Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel structure

Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel

TL;DR: Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel (CAS 7224-39-7) is a chemical compound with molecular formula C22H38Br2N4Ni-2 and molecular weight 574.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

dibromonickel;3,11-ditert-butyl-3,11-diaza-17,18-diazanidatricyclo[11.3.1.15,9]octadeca-1(16),14-diene

Also Known As: Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel, Dibromonickel;3,11-ditert-butyl-3,11-diaza-17,18-diazanidatricyclo[11.3.1.15,9]octadeca-1(16),14-diene

CAS: 7224-39-7
Molecular Formula C22H38Br2N4Ni-2
Molecular Weight 574.08 g/mol
LogP 6.3805
Topological Polar Surface Area 34.68 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 0
Exact Mass 574.08167
Heavy Atoms 29
Complexity 568.14

Chemical Identifiers

CAS Number 7224-39-7
SMILES CC(C)(C)N1CC2CCCC([N-]2)CN(CC3=CC=CC(C1)[N-]3)C(C)(C)C.[Ni](Br)Br

Product Overview

Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel (CAS 7224-39-7), with molecular formula C22H38Br2N4Ni-2 and molecular weight 574.08 g/mol. IUPAC: dibromonickel;3,11-ditert-butyl-3,11-diaza-17,18-diazanidatricyclo[11.3.1.15,9]octadeca-1(16),14-diene.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel

XLogP
6.3805
TPSA (Topological Polar Surface Area)
34.68
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
Rotatable Bonds
0
Heavy Atoms
29
Complexity
568.14
Exact Mass
574.08167
Monoisotopic Mass
576.0796
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel

The XLogP value of 6.3805 indicates that Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.68 Ų, Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel?

The CAS number of Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel is 7224-39-7.

What is the molecular formula of Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel?

The molecular formula of Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel is C22H38Br2N4Ni-2.

What is the molecular weight of Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel?

The molecular weight of Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel is 574.08 g/mol.

Where can I buy Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel?

You can request a quote for Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel?

Yes, KEHONG BIO provides custom synthesis services for Dibromido[3,7-di-tert-butyl-1~1~,1~2~-dihydro-3,7-diaza-1(2,6)-pyridina-5(2,6)-piperidinacyclooctaphane-kappa~4~N~1^{1~},N~3~,N~5^{1~},N~7~]nickel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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