RefChem:276720
TL;DR: RefChem:276720 (CAS 17713-11-0) is a chemical compound with molecular formula C35H54I2N4 and molecular weight 784.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-9-[5-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)pentyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
Also Known As: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-pentamethylenebis(3-benzyl-9-methyl-, diiodide, 9,9'-Pentamethylenebis(3-benzyl-9-methyl-3-aza-9-azoniabicyclo(3.3.1)nonane iodide), 3-benzyl-9-[5-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)pentyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide, 9,9'-(Pentane-1,5-diyl)bis(3-benzyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-9-ium) diiodide, RefChem:276720
| Molecular Formula | C35H54I2N4 |
|---|---|
| Molecular Weight | 784.24 g/mol |
| LogP | -0.07 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 784.2438 |
| Heavy Atoms | 41 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 17713-11-0 |
|---|---|
| SMILES | C[N+]1(C2CCCC1CN(C2)CC3=CC=CC=C3)CCCCC[N+]4(C5CCCC4CN(C5)CC6=CC=CC=C6)C.[I-].[I-] |
| InChIKey | VPSANDKMOVFBJT-UHFFFAOYSA-L |
Product Overview
RefChem:276720 (CAS 17713-11-0), with molecular formula C35H54I2N4 and molecular weight 784.24 g/mol. IUPAC: 3-benzyl-9-[5-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)pentyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide.
Chemical Property Profile of RefChem:276720
Property Insights of RefChem:276720
The XLogP value of -0.07 indicates that RefChem:276720 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 6.5 Ų, RefChem:276720 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276720 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:276720?
The CAS number of RefChem:276720 is 17713-11-0.
What is the molecular formula of RefChem:276720?
The molecular formula of RefChem:276720 is C35H54I2N4.
What is the molecular weight of RefChem:276720?
The molecular weight of RefChem:276720 is 784.24 g/mol.
Where can I buy RefChem:276720?
You can request a quote for RefChem:276720 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276720?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276720 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.