6-Benzyl-1-methylpiperazine-2,5-dione
TL;DR: 6-Benzyl-1-methylpiperazine-2,5-dione (CAS 100593-06-4) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-1-methylpiperazine-2,5-dione
Also Known As: 6-benzyl-1-methyl-2,5-piperazinedione, 6-benzyl-1-methylpiperazine-2,5-dione, 6-Benzyl-1-methyl-piperazine-2,5-dione
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 100593-06-4 |
|---|---|
| SMILES | CN1C(C(=O)NCC1=O)CC2=CC=CC=C2 |
| InChIKey | LGLVQYWIIFXBTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Benzyl-1-methylpiperazine-2,5-dione (CAS 100593-06-4), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 6-benzyl-1-methylpiperazine-2,5-dione.
Chemical Property Profile of 6-Benzyl-1-methylpiperazine-2,5-dione
Property Insights of 6-Benzyl-1-methylpiperazine-2,5-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzyl-1-methylpiperazine-2,5-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 6-Benzyl-1-methylpiperazine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Benzyl-1-methylpiperazine-2,5-dione has 1 hydrogen bond donor(s) and 2 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 6-Benzyl-1-methylpiperazine-2,5-dione?
The CAS number of 6-Benzyl-1-methylpiperazine-2,5-dione is 100593-06-4.
What is the molecular formula of 6-Benzyl-1-methylpiperazine-2,5-dione?
The molecular formula of 6-Benzyl-1-methylpiperazine-2,5-dione is C12H14N2O2.
What is the molecular weight of 6-Benzyl-1-methylpiperazine-2,5-dione?
The molecular weight of 6-Benzyl-1-methylpiperazine-2,5-dione is 218.11 g/mol.
Where can I buy 6-Benzyl-1-methylpiperazine-2,5-dione?
You can request a quote for 6-Benzyl-1-methylpiperazine-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzyl-1-methylpiperazine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzyl-1-methylpiperazine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.