RefChem:276713
TL;DR: RefChem:276713 (CAS 102585-69-3) 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.
[3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)-3-oxopropyl]-diethyl-methylazanium diiodide
Also Known As: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3-(3-(diethylmethylammonio)propionyl)-9,9-dimethyl-, diiodide, [3-(9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-3-yl)-3-oxopropyl]-diethyl-methylazanium diiodide, 3-{3-[diethyl(methyl)ammonio]propanoyl}-9,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane diiodide, 3-{3-[Diethyl(methyl)azaniumyl]propanoyl}-9,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-9-ium diiodide
Technical Specifications
| Molecular Formula | C17H35I2N3O |
| Molecular Weight | 551.087 g/mol |
| XLogP | -4.29 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 551.087 Da |
| Heavy Atoms | 23 |
| Complexity | 360.0 |
| SMILES | CC[N+](C)(CC)CCC(=O)N1CC2CCCC(C1)[N+]2(C)C.[I-].[I-] |
| InChIKey | NHCJKXBBEHRYBN-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:276713
Property Insights of RefChem:276713
The XLogP value of -4.29 indicates that RefChem:276713 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.3 Ų, RefChem:276713 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:276713 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:276713?
The CAS number of RefChem:276713 is 102585-69-3.
What is the molecular formula of RefChem:276713?
The molecular formula of RefChem:276713 is C17H35I2N3O.
What is the molecular weight of RefChem:276713?
The molecular weight of RefChem:276713 is 551.087 g/mol.
Where can I buy RefChem:276713?
You can request a quote for RefChem:276713 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:276713?
Yes, CoreyChem provides custom synthesis services for RefChem:276713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.