Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid
TL;DR: Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid (CAS 130856-97-2) 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-[(2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]acetic acid
Also Known As: Cyclo(aspartyl-phenylalanyl), Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid, 2-[(2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]acetic acid
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | -0.313 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 500.6245 |
Chemical Identifiers
| CAS Number | 130856-97-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@H]2C(=O)N[C@@H](C(=O)N2)CC(=O)O |
Product Overview
Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid (CAS 130856-97-2), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: 2-[(2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]acetic acid.
Chemical Property Profile of Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid
Property Insights of Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid
The XLogP value of -0.313 indicates that Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid. Following Lipinski's Rule of Five, Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid has 3 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 Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid?
The CAS number of Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid is 130856-97-2.
What is the molecular formula of Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid?
The molecular formula of Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid is C13H14N2O4.
What is the molecular weight of Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid?
The molecular weight of Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid is 262.10 g/mol.
Where can I buy Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid?
You can request a quote for Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for Rel-2-((2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.