2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate
TL;DR: 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate (CAS 1048638-13-6) is a chemical compound with molecular formula C20H30BrN3O5 and molecular weight 471.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[1-[(2-bromophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol;oxalic acid
Also Known As: 2-(4-(1-(2-bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate, 2-[4-[1-[(2-bromophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol; oxalic acid, IUPAC: 2-[4-[1-[(2-bromophenyl)methyl]-4-piperidyl]piperazin-1-yl]ethanol; Oxalic Acid
| Molecular Formula | C20H30BrN3O5 |
|---|---|
| Molecular Weight | 471.14 g/mol |
| LogP | 1.179 |
| Topological Polar Surface Area | 104.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.13687 |
| Heavy Atoms | 29 |
| Complexity | 647.27167 |
Chemical Identifiers
| CAS Number | 1048638-13-6 |
|---|---|
| SMILES | C1CN(CCC1N2CCN(CC2)CCO)CC3=CC=CC=C3Br.C(=O)(C(=O)O)O |
Product Overview
2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate (CAS 1048638-13-6), with molecular formula C20H30BrN3O5 and molecular weight 471.14 g/mol. IUPAC: 2-[4-[1-[(2-bromophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol;oxalic acid.
Chemical Property Profile of 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate
Property Insights of 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate
The XLogP value of 1.179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate. The TPSA of 104.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate. Following Lipinski's Rule of Five, 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate has 3 hydrogen bond donor(s) and 6 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 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate?
The CAS number of 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate is 1048638-13-6.
What is the molecular formula of 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate?
The molecular formula of 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate is C20H30BrN3O5.
What is the molecular weight of 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate?
The molecular weight of 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate is 471.14 g/mol.
Where can I buy 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate?
You can request a quote for 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(1-(2-Bromobenzyl)piperidin-4-yl)piperazin-1-yl)ethanol oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.