Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate
TL;DR: Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate (CAS 5344-98-9) is a chemical compound with molecular formula C14H17BrClNO4 and molecular weight 377.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-bromophenyl)methyl]-3-chloropiperidine;oxalic acid
Also Known As: 1-(o-Bromobenzyl)-3-chloropiperidine oxalate, N-(2-Bromobenzyl)-3-chloropiperidine oxalate, KST-1B4970, Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate, 1-(2-bromobenzyl)-3-chloropiperidine ethanedioate(1:1)
| Molecular Formula | C14H17BrClNO4 |
|---|---|
| Molecular Weight | 377.00 g/mol |
| LogP | 2.8079 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.00296 |
| Heavy Atoms | 21 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 5344-98-9 |
|---|---|
| SMILES | C1CC(CN(C1)CC2=CC=CC=C2Br)Cl.C(=O)(C(=O)O)O |
| InChIKey | PFUMCCLZOCJVDA-UHFFFAOYSA-N |
Product Overview
Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate (CAS 5344-98-9), with molecular formula C14H17BrClNO4 and molecular weight 377.00 g/mol. IUPAC: 1-[(2-bromophenyl)methyl]-3-chloropiperidine;oxalic acid.
Chemical Property Profile of Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate
Property Insights of Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate
The XLogP value of 2.8079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate. Following Lipinski's Rule of Five, Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate has 2 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 Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate?
The CAS number of Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate is 5344-98-9.
What is the molecular formula of Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate?
The molecular formula of Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate is C14H17BrClNO4.
What is the molecular weight of Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate?
The molecular weight of Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate is 377.00 g/mol.
Where can I buy Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate?
You can request a quote for Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate?
Yes, KEHONG BIO provides custom synthesis services for Piperidine, 1-(o-bromobenzyl)-3-chloro-, oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.