3-Carboxymethyl-6-benzyl-2,5-diketopiperazine
TL;DR: 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine (CAS 55102-13-1) 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-(5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid
Also Known As: 3-Cmb-dkp, 2-(5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid, Cyclo(-Asp-Phe), Cyclo(aspartyl-phenylalanyl), Aspartame Impurity 5
| 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 |
| Melting Point | 256 - 258 °C |
Chemical Identifiers
| CAS Number | 55102-13-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CC(=O)O |
| InChIKey | VNHJXYUDIBQDDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Carboxymethyl-6-benzyl-2,5-diketopiperazine (CAS 55102-13-1), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: 2-(5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid.
Chemical Property Profile of 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine
Property Insights of 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine. Following Lipinski's Rule of Five, 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine 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 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine?
The CAS number of 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine is 55102-13-1.
What is the molecular formula of 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine?
The molecular formula of 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine is C13H14N2O4.
What is the molecular weight of 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine?
The molecular weight of 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine is 262.10 g/mol.
Where can I buy 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine?
You can request a quote for 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxymethyl-6-benzyl-2,5-diketopiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.