4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide
TL;DR: 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide (CAS 858-57-1) is a chemical compound with molecular formula C24H36INO3 and molecular weight 513.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-triethylazanium iodide
Also Known As: 4-(2,5-dimethoxyphenyl)-n,n,n-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide, Diethyl(4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenyl-2-butyl)methylammonium iodide, Ammonium, diethyl(4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenyl-2-butyl)methyl-, iodide, [4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-triethylazanium iodide, RefChem:1069762
| Molecular Formula | C24H36INO3 |
|---|---|
| Molecular Weight | 513.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 513.174 |
| Heavy Atoms | 29 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 858-57-1 |
|---|---|
| SMILES | CC[N+](CC)(CC)C(C)CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O.[I-] |
| InChIKey | SKMHSCACSAEPRD-UHFFFAOYSA-M |
Product Overview
4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide (CAS 858-57-1), with molecular formula C24H36INO3 and molecular weight 513.17 g/mol. IUPAC: [4-(2,5-dimethoxyphenyl)-4-hydroxy-4-phenylbutan-2-yl]-triethylazanium iodide.
Chemical Property Profile of 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide
Property Insights of 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide. With a topological polar surface area (TPSA) of 38.7 Ų, 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide?
The CAS number of 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide is 858-57-1.
What is the molecular formula of 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide?
The molecular formula of 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide is C24H36INO3.
What is the molecular weight of 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide?
The molecular weight of 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide is 513.17 g/mol.
Where can I buy 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide?
You can request a quote for 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dimethoxyphenyl)-N,N,N-triethyl-4-hydroxy-4-phenylbutan-2-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.