N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate
TL;DR: N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate (CAS 77562-86-8) is a chemical compound with molecular formula C20H31N3O8 and molecular weight 441.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;1-(4-phenyl-2-propan-2-ylpiperazin-1-yl)propan-2-amine
Also Known As: N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate, 1-Piperazineethanamine, alpha-methyl-4-(1-methylethyl)-N-phenyl-, ethanedioate (1:2), oxalic acid,1-(4-phenyl-2-propan-2-ylpiperazin-1-yl)propan-2-amine, oxalic acid; 1-(4-phenyl-2-propan-2-ylpiperazin-1-yl)propan-2-amine, Oxalic acid--1-[4-phenyl-2-(propan-2-yl)piperazin-1-yl]propan-2-amine (2/1)
| Molecular Formula | C20H31N3O8 |
|---|---|
| Molecular Weight | 441.21 g/mol |
| LogP | 0.4916 |
| Topological Polar Surface Area | 181.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.21112 |
| Heavy Atoms | 31 |
| Complexity | 676.39496 |
Chemical Identifiers
| CAS Number | 77562-86-8 |
|---|---|
| SMILES | CC(C)C1CN(CCN1CC(C)N)C2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate (CAS 77562-86-8), with molecular formula C20H31N3O8 and molecular weight 441.21 g/mol. IUPAC: oxalic acid;1-(4-phenyl-2-propan-2-ylpiperazin-1-yl)propan-2-amine.
Chemical Property Profile of N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate
Property Insights of N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate
The XLogP value of 0.4916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate. The TPSA of 181.7 Ų indicates high polarity, suggesting N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate has 5 hydrogen bond donor(s) and 7 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 N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate?
The CAS number of N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate is 77562-86-8.
What is the molecular formula of N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate?
The molecular formula of N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate is C20H31N3O8.
What is the molecular weight of N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate?
The molecular weight of N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate is 441.21 g/mol.
Where can I buy N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate?
You can request a quote for N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Methyl-2-(4-isopropylpiperazino)ethyl)aniline dioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.