Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)-
TL;DR: Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)- (CAS 56817-07-3) is a chemical compound with molecular formula C20H22BrN3O4 and molecular weight 447.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromophenyl)methyl]-1-pyridin-2-ylpiperazine;(E)-but-2-enedioic acid
Also Known As: WV 679, 2-((m-Bromobenzyl)(2-(diethylamino)ethyl)amino)pyridine, Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)-, N-(m-Bromobenzyl)-N',N'-diethyl-N-(2-pyridyl)ethylenediamine, Ethylenediamine, N-(m-bromobenzyl)-N',N'-diethyl-N-(2-pyridyl)-
| Molecular Formula | C20H22BrN3O4 |
|---|---|
| Molecular Weight | 447.08 g/mol |
| LogP | 2.5768 |
| Topological Polar Surface Area | 102.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.07938 |
| Heavy Atoms | 28 |
| Complexity | 798.1079 |
Chemical Identifiers
| CAS Number | 56817-07-3 |
|---|---|
| SMILES | C1CN(C(CN1)CC2=CC(=CC=C2)Br)C3=CC=CC=N3.C(=C/C(=O)O)\C(=O)O |
Product Overview
Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)- (CAS 56817-07-3), with molecular formula C20H22BrN3O4 and molecular weight 447.08 g/mol. IUPAC: 2-[(3-bromophenyl)methyl]-1-pyridin-2-ylpiperazine;(E)-but-2-enedioic acid.
Chemical Property Profile of Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)-
Property Insights of Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)-
The XLogP value of 2.5768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)-. The TPSA of 102.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)-. Following Lipinski's Rule of Five, Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)- has 3 hydrogen bond donor(s) and 5 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 Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)-?
The CAS number of Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)- is 56817-07-3.
What is the molecular formula of Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)-?
The molecular formula of Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)- is C20H22BrN3O4.
What is the molecular weight of Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)-?
The molecular weight of Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)- is 447.08 g/mol.
Where can I buy Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)-?
You can request a quote for Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 2-((m-bromobenzyl)(2-(diethylamino)ethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.