RefChem:276716
TL;DR: RefChem:276716 (CAS 16405-22-4) is a chemical compound with molecular formula C28H48Br2N4O2 and molecular weight 630.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[2-[3-[2-(3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethoxy]phenoxy]ethyl]-3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane dibromide
Also Known As: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-(m-phenylenebis(oxyethylene))bis(3,9-dimethyl-, dibromide, 3-Aza-9-azoniabicyclo[3.3.1]nonane, 9,9'-[1,3-phenylenebis(oxy-2,1-ethanediyl)]bis[3,9-dimethyl-, dibromide, 9,9'-[1,3-Phenylenebis(oxyethane-2,1-diyl)]bis(3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-9-ium) dibromide, 9-[2-[3-[2-(3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethoxy]phenoxy]ethyl]-3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane dibromide, RefChem:276716
| Molecular Formula | C28H48Br2N4O2 |
|---|---|
| Molecular Weight | 630.21 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 | 632.21234 |
| Heavy Atoms | 36 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 16405-22-4 |
|---|---|
| SMILES | CN1CC2CCCC(C1)[N+]2(C)CCOC3=CC(=CC=C3)OCC[N+]4(C5CCCC4CN(C5)C)C.[Br-].[Br-] |
| InChIKey | SHPYEHSBMBEIEK-UHFFFAOYSA-L |
Product Overview
RefChem:276716 (CAS 16405-22-4), with molecular formula C28H48Br2N4O2 and molecular weight 630.21 g/mol. IUPAC: 9-[2-[3-[2-(3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethoxy]phenoxy]ethyl]-3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane dibromide.
Chemical Property Profile of RefChem:276716
Property Insights of RefChem:276716
The XLogP value of -2.92 indicates that RefChem:276716 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:276716 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276716 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:276716?
The CAS number of RefChem:276716 is 16405-22-4.
What is the molecular formula of RefChem:276716?
The molecular formula of RefChem:276716 is C28H48Br2N4O2.
What is the molecular weight of RefChem:276716?
The molecular weight of RefChem:276716 is 630.21 g/mol.
Where can I buy RefChem:276716?
You can request a quote for RefChem:276716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276716?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.