RefChem:276708
TL;DR: RefChem:276708 (CAS 20302-39-0) is a chemical compound with molecular formula C28H48I2N4O2 and molecular weight 726.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[3-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethoxy]phenoxy]ethyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
Also Known As: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3,3'-(m-phenylenebis(oxyethylene))bis(9,9-dimethyl-, diiodide, 3,3'-[1,3-Phenylenebis(oxyethane-2,1-diyl)]bis(9,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-9-ium) diiodide, 3-[2-[3-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethoxy]phenoxy]ethyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide, 3-Aza-9-azoniabicyclo[3.3.1]nonane, 3,3'-[(1,3-phenylene)bis(oxy-2,1-ethanediyl)]bis[9,9-dimethyl-, diiodide, RefChem:276708
| Molecular Formula | C28H48I2N4O2 |
|---|---|
| Molecular Weight | 726.19 g/mol |
| LogP | -2.92 |
| Topological Polar Surface Area | 24.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 726.18665 |
| Heavy Atoms | 36 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 20302-39-0 |
|---|---|
| SMILES | C[N+]1(C2CCCC1CN(C2)CCOC3=CC(=CC=C3)OCCN4CC5CCCC(C4)[N+]5(C)C)C.[I-].[I-] |
| InChIKey | MBRFNRBQWDGUMS-UHFFFAOYSA-L |
Product Overview
RefChem:276708 (CAS 20302-39-0), with molecular formula C28H48I2N4O2 and molecular weight 726.19 g/mol. IUPAC: 3-[2-[3-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethoxy]phenoxy]ethyl]-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide.
Chemical Property Profile of RefChem:276708
Property Insights of RefChem:276708
The XLogP value of -2.92 indicates that RefChem:276708 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.9 Ų, RefChem:276708 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276708 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:276708?
The CAS number of RefChem:276708 is 20302-39-0.
What is the molecular formula of RefChem:276708?
The molecular formula of RefChem:276708 is C28H48I2N4O2.
What is the molecular weight of RefChem:276708?
The molecular weight of RefChem:276708 is 726.19 g/mol.
Where can I buy RefChem:276708?
You can request a quote for RefChem:276708 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276708?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276708 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.