1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide
TL;DR: 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide (CAS 79808-77-8) is a chemical compound with molecular formula C27H31FINO and molecular weight 531.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(2-fluorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol iodide
Also Known As: 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide, Pyrrolidinium, 1-((fluorophenyl)methyl)-2-(1-hydroxy-2-phenyl-1-(phenylmethyl)ethyl)-1-methyl-, iodide, 1-[(2-Fluorophenyl)methyl]-2-(2-hydroxy-1,3-diphenylpropan-2-yl)-1-methylpyrrolidin-1-ium iodide, 2-[1-[(2-fluorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol iodide, RefChem:378125
| Molecular Formula | C27H31FINO |
|---|---|
| Molecular Weight | 531.14 g/mol |
| LogP | 2.1552 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 531.14343 |
| Heavy Atoms | 31 |
| Complexity | 923.74005 |
Chemical Identifiers
| CAS Number | 79808-77-8 |
|---|---|
| SMILES | C[N+]1(CCCC1C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O)CC4=CC=CC=C4F.[I-] |
Product Overview
1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide (CAS 79808-77-8), with molecular formula C27H31FINO and molecular weight 531.14 g/mol. IUPAC: 2-[1-[(2-fluorophenyl)methyl]-1-methylpyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol iodide.
Chemical Property Profile of 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide
Property Insights of 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide
The XLogP value of 2.1552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide. With a topological polar surface area (TPSA) of 20.23 Ų, 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide?
The CAS number of 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide is 79808-77-8.
What is the molecular formula of 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide?
The molecular formula of 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide is C27H31FINO.
What is the molecular weight of 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide?
The molecular weight of 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide is 531.14 g/mol.
Where can I buy 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide?
You can request a quote for 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(Fluorobenzyl)-2-(1-hydroxy-2-phenyl-1-benzylethyl)-1-methylpyrrolidinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.