Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate
TL;DR: Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate (CAS 65976-16-1) is a chemical compound with molecular formula C25H32BrNO3 and molecular weight 473.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide
Also Known As: AHR 479, 1-Benzyl-3-hydroxy-1-methylpyrrolidinium bromide alpha-cyclopentylmandelate, Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate, (1-benzyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide, 1-Benzyl-3-{[cyclopentyl(hydroxy)(phenyl)acetyl]oxy}-1-methylpyrrolidin-1-ium bromide
| Molecular Formula | C25H32BrNO3 |
|---|---|
| Molecular Weight | 473.16 g/mol |
| LogP | 1.0307 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.15656 |
| Heavy Atoms | 30 |
| Complexity | 824.80206 |
Chemical Identifiers
| CAS Number | 65976-16-1 |
|---|---|
| SMILES | C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CC4=CC=CC=C4.[Br-] |
Product Overview
Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate (CAS 65976-16-1), with molecular formula C25H32BrNO3 and molecular weight 473.16 g/mol. IUPAC: (1-benzyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide.
Chemical Property Profile of Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate
Property Insights of Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate
The XLogP value of 1.0307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate. With a topological polar surface area (TPSA) of 46.53 Ų, Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate has 1 hydrogen bond donor(s) and 3 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 Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate?
The CAS number of Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate is 65976-16-1.
What is the molecular formula of Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate?
The molecular formula of Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate is C25H32BrNO3.
What is the molecular weight of Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate?
The molecular weight of Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate is 473.16 g/mol.
Where can I buy Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate?
You can request a quote for Pyrrolidinium, 1-benzyl-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 Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidinium, 1-benzyl-3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.