RefChem:276726
TL;DR: RefChem:276726 (CAS 102585-72-8) is a chemical compound with molecular formula C17H35I2N3O and molecular weight 551.087 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl]-4-methylmorpholin-4-ium diiodide
Also Known As: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(3-(4-methylmorpholinio)propyl)-, diiodide, 4-[3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)propyl]-4-methylmorpholin-4-ium diiodide, 9,9-Dimethyl-3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-3,9-diazabicyclo[3.3.1]nonan-9-ium diiodide, 9,9-dimethyl-3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide
Technical Specifications
| Molecular Formula | C17H35I2N3O |
| Molecular Weight | 551.087 g/mol |
| XLogP | -4.83 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 551.087 Da |
| Heavy Atoms | 23 |
| Complexity | 336.0 |
| SMILES | C[N+]1(C2CCCC1CN(C2)CCC[N+]3(CCOCC3)C)C.[I-].[I-] |
| InChIKey | OOUPAJQDBXDIAE-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:276726
Property Insights of RefChem:276726
The XLogP value of -4.83 indicates that RefChem:276726 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:276726 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276726 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:276726?
The CAS number of RefChem:276726 is 102585-72-8.
What is the molecular formula of RefChem:276726?
The molecular formula of RefChem:276726 is C17H35I2N3O.
What is the molecular weight of RefChem:276726?
The molecular weight of RefChem:276726 is 551.087 g/mol.
Where can I buy RefChem:276726?
You can request a quote for RefChem:276726 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:276726?
Yes, CoreyChem provides custom synthesis services for RefChem:276726 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.