RefChem:378955
TL;DR: RefChem:378955 (CAS 63716-87-0) is a chemical compound with molecular formula C16H30I2N2O3 and molecular weight 552.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-(1-methyl-5-oxo-1-azoniabicyclo[2.2.2]octane-2-carbonyl)oxyethyl]azanium diiodide
Also Known As: Quinuclidinium, 2-carboxy-1-methyl-5-oxo-, iodide, ester with diethyl(2-hydroxyethyl)methylammonium iodide, 2-({2-[diethyl(methyl)ammonio]ethoxy}carbonyl)-1-methyl-5-oxo-1-azoniabicyclo[2.2.2]octane diiodide, 2-({2-[Diethyl(methyl)azaniumyl]ethoxy}carbonyl)-1-methyl-5-oxo-1-azabicyclo[2.2.2]octan-1-ium diiodide, diethyl-methyl-[2-(1-methyl-5-oxo-1-azoniabicyclo[2.2.2]octane-2-carbonyl)oxyethyl]azanium diiodide, RefChem:378955
| Molecular Formula | C16H30I2N2O3 |
|---|---|
| Molecular Weight | 552.03 g/mol |
| LogP | -5.17 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 552.0346 |
| Heavy Atoms | 23 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 63716-87-0 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C1CC2CC[N+]1(CC2=O)C.[I-].[I-] |
| InChIKey | KPUOOXMQSSEHNF-UHFFFAOYSA-L |
Product Overview
RefChem:378955 (CAS 63716-87-0), with molecular formula C16H30I2N2O3 and molecular weight 552.03 g/mol. IUPAC: diethyl-methyl-[2-(1-methyl-5-oxo-1-azoniabicyclo[2.2.2]octane-2-carbonyl)oxyethyl]azanium diiodide.
Chemical Property Profile of RefChem:378955
Property Insights of RefChem:378955
The XLogP value of -5.17 indicates that RefChem:378955 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.4 Ų, RefChem:378955 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:378955 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:378955?
The CAS number of RefChem:378955 is 63716-87-0.
What is the molecular formula of RefChem:378955?
The molecular formula of RefChem:378955 is C16H30I2N2O3.
What is the molecular weight of RefChem:378955?
The molecular weight of RefChem:378955 is 552.03 g/mol.
Where can I buy RefChem:378955?
You can request a quote for RefChem:378955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378955?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.