Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate
TL;DR: Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate (CAS 57611-84-4) is a chemical compound with molecular formula C19H27ClN2O6 and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate;oxalic acid
Also Known As: Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate, 4-Piperidinecarboxylic acid, 4-amino-1-((4-chlorophenyl)methyl)-, butyl ester, ethanedioate (1:2), butyl 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate; oxalic acid, Oxalic acid--butyl 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate (1/1), RefChem:295646
| Molecular Formula | C19H27ClN2O6 |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 2.1322 |
| Topological Polar Surface Area | 130.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.15576 |
| Heavy Atoms | 28 |
| Complexity | 644.89264 |
Chemical Identifiers
| CAS Number | 57611-84-4 |
|---|---|
| SMILES | CCCCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Cl)N.C(=O)(C(=O)O)O |
Product Overview
Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate (CAS 57611-84-4), with molecular formula C19H27ClN2O6 and molecular weight 414.16 g/mol. IUPAC: butyl 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate;oxalic acid.
Chemical Property Profile of Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate
Property Insights of Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate
The XLogP value of 2.1322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate. The TPSA of 130.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate. Following Lipinski's Rule of Five, Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate 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 Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate?
The CAS number of Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate is 57611-84-4.
What is the molecular formula of Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate?
The molecular formula of Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate is C19H27ClN2O6.
What is the molecular weight of Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate?
The molecular weight of Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate is 414.16 g/mol.
Where can I buy Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate?
You can request a quote for Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-amino-1-(p-chlorobenzyl)-4-piperidinecarboxylate dioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.