RefChem:276723
TL;DR: RefChem:276723 (CAS 102585-71-7) is a chemical compound with molecular formula C16H33I2N3O and molecular weight 537.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethyl]-4-methylmorpholin-4-ium diiodide
Also Known As: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(2-(4-methylmorpholinio)ethyl)-, diiodide, 9,9-Dimethyl-3-(2-(4-methylmorpholinio)ethyl)-3-aza-9-azoniabicyclo(3.3.1)nonane diiodide, 4-[2-(9,9-Dimethyl-7-aza-9-azoniabicyclo[3.3.1]nonan-7-yl)ethyl]-4-methylmorpholin-4-ium diiodide, 4-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethyl]-4-methylmorpholin-4-ium, 4-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethyl]-4-methylmorpholin-4-ium diiodide
| Molecular Formula | C16H33I2N3O |
|---|---|
| Molecular Weight | 537.07 g/mol |
| LogP | -5.22 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 537.0713 |
| Heavy Atoms | 22 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 102585-71-7 |
|---|---|
| SMILES | C[N+]1(C2CCCC1CN(C2)CC[N+]3(CCOCC3)C)C.[I-].[I-] |
| InChIKey | ZRIVOCZMSQRSBN-UHFFFAOYSA-L |
Product Overview
RefChem:276723 (CAS 102585-71-7), with molecular formula C16H33I2N3O and molecular weight 537.07 g/mol. IUPAC: 4-[2-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)ethyl]-4-methylmorpholin-4-ium diiodide.
Chemical Property Profile of RefChem:276723
Property Insights of RefChem:276723
The XLogP value of -5.22 indicates that RefChem:276723 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 12.5 Ų, RefChem:276723 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276723 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:276723?
The CAS number of RefChem:276723 is 102585-71-7.
What is the molecular formula of RefChem:276723?
The molecular formula of RefChem:276723 is C16H33I2N3O.
What is the molecular weight of RefChem:276723?
The molecular weight of RefChem:276723 is 537.07 g/mol.
Where can I buy RefChem:276723?
You can request a quote for RefChem:276723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:276723?
Yes, KEHONG BIO provides custom synthesis services for RefChem:276723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.