(2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid
TL;DR: (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid (CAS 5262-10-2) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2S,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]acetic acid
Also Known As: Cyclo(aspartyl-phenylalanyl), Cyclo(-Asp-Phe), Cyclo(Asp-Phe), Cyclo(Phe-Asp), Cyclo(Phe-Asp-)
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 5262-10-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N2)CC(=O)O |
| InChIKey | VNHJXYUDIBQDDX-UWVGGRQHSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid (CAS 5262-10-2), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: 2-[(2S,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]acetic acid.
Chemical Property Profile of (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid
Property Insights of (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid. Following Lipinski's Rule of Five, (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid has 3 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 (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid?
The CAS number of (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid is 5262-10-2.
What is the molecular formula of (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid?
The molecular formula of (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid is C13H14N2O4.
What is the molecular weight of (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid?
The molecular weight of (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid is 262.10 g/mol.
Where can I buy (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid?
You can request a quote for (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,5S)-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.