RefChem:276718
TL;DR: RefChem:276718 (CAS 17747-53-4) is a chemical compound with molecular formula C36H56I2N4 and molecular weight 798.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-9-[6-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)hexyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
Also Known As: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-hexamethylenebis(3-benzyl-9-methyl-, diiodide, 9,9'-Hexamethylenebis(3-benzyl-9-methyl-3-aza-9-azoniabicyclo(3.3.1)nonane iodide), 3-benzyl-9-[6-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)hexyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide, 9,9'-(Hexane-1,6-diyl)bis(3-benzyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-9-ium) diiodide, RefChem:276718
| Molecular Formula | C36H56I2N4 |
|---|---|
| Molecular Weight | 798.26 g/mol |
| LogP | 0.32 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 798.25946 |
| Heavy Atoms | 42 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 17747-53-4 |
|---|---|
| SMILES | C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCCCCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-] |
| InChIKey | GMZIRHOBDNYARW-UHFFFAOYSA-L |
Product Overview
RefChem:276718 (CAS 17747-53-4), with molecular formula C36H56I2N4 and molecular weight 798.26 g/mol. IUPAC: 3-benzyl-9-[6-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)hexyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide.
Chemical Property Profile of RefChem:276718
Property Insights of RefChem:276718
The XLogP value of 0.32 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:276718. With a topological polar surface area (TPSA) of 6.5 Ų, RefChem:276718 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276718 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:276718?
The CAS number of RefChem:276718 is 17747-53-4.
What is the molecular formula of RefChem:276718?
The molecular formula of RefChem:276718 is C36H56I2N4.
What is the molecular weight of RefChem:276718?
The molecular weight of RefChem:276718 is 798.26 g/mol.
Where can I buy RefChem:276718?
You can request a quote for RefChem:276718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276718?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.