2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide
TL;DR: 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide (CAS 79820-07-8) is a chemical compound with molecular formula C25H30INOS and molecular weight 519.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol iodide
Also Known As: 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide, Pyrrolidinium, 2-(1-hydroxy-2-phenyl-1-(phenylmethyl)ethyl)-1-methyl-1-(2-thienylmethyl)-, iodide, 2-[1-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol iodide, 2-[1-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol,iodide, 2-(1-HYDROXY-2-PHENYL-1-BENZYLETHYL)-1-METHYL-1-(2-THIENYLMETHYL)PYRRO LIDINIUM IODIDE
| Molecular Formula | C25H30INOS |
|---|---|
| Molecular Weight | 519.11 g/mol |
| LogP | 2.0776 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.10925 |
| Heavy Atoms | 29 |
| Complexity | 826.86346 |
Chemical Identifiers
| CAS Number | 79820-07-8 |
|---|---|
| SMILES | C[N+]1(CCCC1C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O)CC4=CC=CS4.[I-] |
Product Overview
2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide (CAS 79820-07-8), with molecular formula C25H30INOS and molecular weight 519.11 g/mol. IUPAC: 2-[1-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-1-ium-2-yl]-1,3-diphenylpropan-2-ol iodide.
Chemical Property Profile of 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide
Property Insights of 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide
The XLogP value of 2.0776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide. With a topological polar surface area (TPSA) of 20.23 Ų, 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide?
The CAS number of 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide is 79820-07-8.
What is the molecular formula of 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide?
The molecular formula of 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide is C25H30INOS.
What is the molecular weight of 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide?
The molecular weight of 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide is 519.11 g/mol.
Where can I buy 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide?
You can request a quote for 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Hydroxy-2-phenyl-1-benzylethyl)-1-methyl-1-(2-thienylmethyl)pyrrolidinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.