Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate
TL;DR: Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate (CAS 135884-98-9) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[(3S)-3-benzyl-2-oxopiperazin-1-yl]-3-phenylpropanoate
Also Known As: Eff-och3, methyl3-phenyl-3- propionate, Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate, methyl (2S)-2-[(3S)-3-benzyl-2-oxopiperazin-1-yl]-3-phenylpropanoate, methyl 2-(3-benzyl-2-oxopiperazin-1-yl)-3-phenylpropanoate
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 135884-98-9 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)N2CCN[C@H](C2=O)CC3=CC=CC=C3 |
| InChIKey | ASHDRQJEJVMZJK-OALUTQOASA-N |
Product Overview
Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate (CAS 135884-98-9), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: methyl (2S)-2-[(3S)-3-benzyl-2-oxopiperazin-1-yl]-3-phenylpropanoate.
Chemical Property Profile of Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate
Property Insights of Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate
The XLogP value of 3.0 indicates that Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate has 1 hydrogen bond donor(s) and 4 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 Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate?
The CAS number of Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate is 135884-98-9.
What is the molecular formula of Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate?
The molecular formula of Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate is C21H24N2O3.
What is the molecular weight of Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate?
The molecular weight of Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate is 352.18 g/mol.
Where can I buy Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate?
You can request a quote for Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-phenyl-3-(2'-oxo-3'-benzyl-1'-piperazinyl)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.