1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester
TL;DR: 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester (CAS 104055-49-4) is a chemical compound with molecular formula C18H20N2O2 and molecular weight 296.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-phenylpiperazine-1-carboxylate
Also Known As: Benzyl 4-phenylpiperazine-1-carboxylate, 4-carbobenzyloxy 1-phenylpiperazine, 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester, J2.542.413A, 4-Phenylpiperazine-1-carboxylic acid benzyl ester
| Molecular Formula | C18H20N2O2 |
|---|---|
| Molecular Weight | 296.15 g/mol |
| LogP | 3.1454 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.15247 |
| Heavy Atoms | 22 |
| Complexity | 592.9989 |
Chemical Identifiers
| CAS Number | 104055-49-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3 |
Product Overview
1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester (CAS 104055-49-4), with molecular formula C18H20N2O2 and molecular weight 296.15 g/mol. IUPAC: benzyl 4-phenylpiperazine-1-carboxylate.
Chemical Property Profile of 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester
Property Insights of 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester
The XLogP value of 3.1454 indicates that 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester has 0 hydrogen bond donor(s) and 3 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 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester?
The CAS number of 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester is 104055-49-4.
What is the molecular formula of 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester?
The molecular formula of 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester is C18H20N2O2.
What is the molecular weight of 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester?
The molecular weight of 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester is 296.15 g/mol.
Where can I buy 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester?
You can request a quote for 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxylic acid, 4-phenyl-, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.