Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate
TL;DR: Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate (CAS 57611-82-2) is a chemical compound with molecular formula C23H28N2O6 and molecular weight 428.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;2-phenylethyl 4-amino-1-benzylpiperidine-4-carboxylate
Also Known As: Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate, 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, 2-phenylethyl ester, ethanedioate (1:2), oxalic acid; phenethyl 4-amino-1-benzylpiperidine-4-carboxylate, Oxalic acid--2-phenylethyl 4-amino-1-benzylpiperidine-4-carboxylate (1/1), RefChem:295651
| Molecular Formula | C23H28N2O6 |
|---|---|
| Molecular Weight | 428.19 g/mol |
| LogP | 1.9214 |
| Topological Polar Surface Area | 130.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.19473 |
| Heavy Atoms | 31 |
| Complexity | 836.88513 |
Chemical Identifiers
| CAS Number | 57611-82-2 |
|---|---|
| SMILES | C1CN(CCC1(C(=O)OCCC2=CC=CC=C2)N)CC3=CC=CC=C3.C(=O)(C(=O)O)O |
Product Overview
Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate (CAS 57611-82-2), with molecular formula C23H28N2O6 and molecular weight 428.19 g/mol. IUPAC: oxalic acid;2-phenylethyl 4-amino-1-benzylpiperidine-4-carboxylate.
Chemical Property Profile of Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate
Property Insights of Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate
The XLogP value of 1.9214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate. The TPSA of 130.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate. Following Lipinski's Rule of Five, Phenethyl 4-amino-1-benzyl-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 Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate?
The CAS number of Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate is 57611-82-2.
What is the molecular formula of Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate?
The molecular formula of Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate is C23H28N2O6.
What is the molecular weight of Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate?
The molecular weight of Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate is 428.19 g/mol.
Where can I buy Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate?
You can request a quote for Phenethyl 4-amino-1-benzyl-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 Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl 4-amino-1-benzyl-4-piperidinecarboxylate dioxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.