RefChem:378965
TL;DR: RefChem:378965 (CAS 13435-69-3) is a chemical compound with molecular formula C16H32I2N2O2 and molecular weight 538.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-(1-methyl-1-azoniabicyclo[2.2.2]octane-3-carbonyl)oxyethyl]azanium diiodide
Also Known As: Quinuclidinium, 3-carboxy-1-methyl-, iodide, ester with diethyl(2-hydroxyethyl)methylammonium iodide, 3-({2-[diethyl(methyl)ammonio]ethoxy}carbonyl)-1-methyl-1-azoniabicyclo[2.2.2]octane diiodide, 1-AZONIABICYCLO[2.2.2]OCTANE,3-[[2-(DIETHYLMETHYLAMMONIO)ETHOXY]CARBONYL]-1-METHYL-, IODIDE (1:2), 1-Azoniabicyclo[2.2.2]octane,3-[[2-(diethylmethylammonio)ethoxy]carbonyl]-1-methyl-,iodide(1:2), 3-({2-[Diethyl(methyl)azaniumyl]ethoxy}carbonyl)-1-methyl-1-azabicyclo[2.2.2]octan-1-ium diiodide
| Molecular Formula | C16H32I2N2O2 |
|---|---|
| Molecular Weight | 538.06 g/mol |
| LogP | -4.49 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.0553 |
| Heavy Atoms | 22 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 13435-69-3 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C1C[N+]2(CCC1CC2)C.[I-].[I-] |
| InChIKey | PFGZYKXIUPPVPI-UHFFFAOYSA-L |
Product Overview
RefChem:378965 (CAS 13435-69-3), with molecular formula C16H32I2N2O2 and molecular weight 538.06 g/mol. IUPAC: diethyl-methyl-[2-(1-methyl-1-azoniabicyclo[2.2.2]octane-3-carbonyl)oxyethyl]azanium diiodide.
Chemical Property Profile of RefChem:378965
Property Insights of RefChem:378965
The XLogP value of -4.49 indicates that RefChem:378965 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:378965 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:378965 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:378965?
The CAS number of RefChem:378965 is 13435-69-3.
What is the molecular formula of RefChem:378965?
The molecular formula of RefChem:378965 is C16H32I2N2O2.
What is the molecular weight of RefChem:378965?
The molecular weight of RefChem:378965 is 538.06 g/mol.
Where can I buy RefChem:378965?
You can request a quote for RefChem:378965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378965?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.