Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester)
TL;DR: Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester) (CAS 80381-22-2) is a chemical compound with molecular formula C18H26INO2 and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-phenylbutanoate iodide
Also Known As: 3-Hydroxy-1-methyl-quinuclidinium iodide 2-phenylbutyrate (ester), Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester), (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-phenylbutanoate;iodide, (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-phenylbutanoate iodide, (1s,4s)-1-methyl-3-((2-phenylbutanoyl)oxy)quinuclidin-1-ium iodide
| Molecular Formula | C18H26INO2 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | -0.0338 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.10083 |
| Heavy Atoms | 22 |
| Complexity | 497.06845 |
Chemical Identifiers
| CAS Number | 80381-22-2 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)OC2C[N+]3(CCC2CC3)C.[I-] |
Product Overview
Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester) (CAS 80381-22-2), with molecular formula C18H26INO2 and molecular weight 415.10 g/mol. IUPAC: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-phenylbutanoate iodide.
Chemical Property Profile of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester)
Property Insights of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester)
The XLogP value of -0.0338 indicates that Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester) 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, Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester) has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester)?
The CAS number of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester) is 80381-22-2.
What is the molecular formula of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester)?
The molecular formula of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester) is C18H26INO2.
What is the molecular weight of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester)?
The molecular weight of Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester) is 415.10 g/mol.
Where can I buy Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester)?
You can request a quote for Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.