RefChem:276717
TL;DR: RefChem:276717 (CAS 17713-12-1) is a chemical compound with molecular formula C37H58I2N4 and molecular weight 812.2751 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-9-[7-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)heptyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
Also Known As: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-heptamethylenebis(3-benzyl-9-methyl-, diiodide, 9,9'-Heptamethylenebis(3-benzyl-9-methyl-3-aza-9-azoniabicyclo(3.3.1)nonane iodide), 3-benzyl-9-[7-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)heptyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide, 9,9'-(Heptane-1,7-diyl)bis(3-benzyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-9-ium) diiodide
Technical Specifications
| Molecular Formula | C37H58I2N4 |
| Molecular Weight | 812.2751 g/mol |
| XLogP | 0.71 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 812.2751 Da |
| Heavy Atoms | 43 |
| Complexity | 694.0 |
| SMILES | C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCCCCCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-] |
| InChIKey | NZVJMXGKNOLTLA-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:276717
Property Insights of RefChem:276717
The XLogP value of 0.71 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:276717. With a topological polar surface area (TPSA) of 6.5 Ų, RefChem:276717 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276717 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:276717?
The CAS number of RefChem:276717 is 17713-12-1.
What is the molecular formula of RefChem:276717?
The molecular formula of RefChem:276717 is C37H58I2N4.
What is the molecular weight of RefChem:276717?
The molecular weight of RefChem:276717 is 812.2751 g/mol.
Where can I buy RefChem:276717?
You can request a quote for RefChem:276717 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:276717?
Yes, CoreyChem provides custom synthesis services for RefChem:276717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.