N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate
TL;DR: N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate (CAS 77563-00-9) is a chemical compound with molecular formula C27H35N3O9 and molecular weight 545.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-phenylpropanamide;oxalic acid
Also Known As: N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate, Propanamide, N-(1-methyl-2-(4-(phenylmethyl)-1-piperazinyl)ethyl)-N-phenyl-, ethanedioate (1:2), N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-phenylpropanamide; oxalic acid, Oxalic acid--N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-phenylpropanamide (2/1), RefChem:374137
| Molecular Formula | C27H35N3O9 |
|---|---|
| Molecular Weight | 545.24 g/mol |
| LogP | 1.9471 |
| Topological Polar Surface Area | 175.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.2373 |
| Heavy Atoms | 39 |
| Complexity | 1024.4252 |
Chemical Identifiers
| CAS Number | 77563-00-9 |
|---|---|
| SMILES | CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate (CAS 77563-00-9), with molecular formula C27H35N3O9 and molecular weight 545.24 g/mol. IUPAC: N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-phenylpropanamide;oxalic acid.
Chemical Property Profile of N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate
Property Insights of N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate
The XLogP value of 1.9471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate. The TPSA of 175.99 Ų indicates high polarity, suggesting N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate?
The CAS number of N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate is 77563-00-9.
What is the molecular formula of N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate?
The molecular formula of N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate is C27H35N3O9.
What is the molecular weight of N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate?
The molecular weight of N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate is 545.24 g/mol.
Where can I buy N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate?
You can request a quote for N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide 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-benzylpiperazino)ethyl)propionanilide dioxalate?
Yes, KEHONG BIO provides custom synthesis services for N-(1-Methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.