Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate
TL;DR: Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate (CAS 29125-57-3) is a chemical compound with molecular formula C21H30BrNO3 and molecular weight 423.14 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-cyclopentyl-2-hydroxy-2-phenylacetate bromide
Also Known As: 3-Hydroxy-1-methylquinuclidinium bromide alpha-cyclopentylmandelate, 1-Methyl-3-(2-cyclopentyl-2-hydroxy-2-phenylethanoyloxy)quinuclidinium bromide, Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate, 3-{[Cyclopentyl(hydroxy)phenylacetyl]oxy}-1-methyl-1-azabicyclo[2.2.2]octan-1-ium bromide, (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide
| Molecular Formula | C21H30BrNO3 |
|---|---|
| Molecular Weight | 423.14 g/mol |
| LogP | -0.1496 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.1409 |
| Heavy Atoms | 26 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 29125-57-3 |
|---|---|
| SMILES | C[N+]12CCC(CC1)C(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O.[Br-] |
| InChIKey | QMPNXLUWXZWDRX-UHFFFAOYSA-M |
Product Overview
Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate (CAS 29125-57-3), with molecular formula C21H30BrNO3 and molecular weight 423.14 g/mol. IUPAC: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide.
Chemical Property Profile of Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate
Property Insights of Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate
The XLogP value of -0.1496 indicates that Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate has 1 hydrogen bond donor(s) and 4 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-, bromide, alpha-cyclopentylmandelate?
The CAS number of Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate is 29125-57-3.
What is the molecular formula of Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate?
The molecular formula of Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate is C21H30BrNO3.
What is the molecular weight of Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate?
The molecular weight of Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate is 423.14 g/mol.
Where can I buy Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate?
You can request a quote for Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate 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-, bromide, alpha-cyclopentylmandelate?
Yes, KEHONG BIO provides custom synthesis services for Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.