1-Acetyl-3-benzylidene-2,5-piperazinedione
TL;DR: 1-Acetyl-3-benzylidene-2,5-piperazinedione (CAS 41808-11-1) is a chemical compound with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-3-benzylidenepiperazine-2,5-dione
Also Known As: 1-ACETYL-3-BENZYLIDENE-PIPERAZINE-2,5-DIONE, 1-acetyl-3-benzylidene-2,5-piperazinedione, 1-acetyl-3-benzylidenepiperazine-2,5-dione, (Z)-1-Acetyl-3-benzylidenepiperazine-2,5-dione, 1-acetyl-3-benzylidene piperazine-2,5-dione
| Molecular Formula | C13H12N2O3 |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 0.5324 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.0848 |
| Heavy Atoms | 18 |
| Complexity | 534.4272 |
Chemical Identifiers
| CAS Number | 41808-11-1 |
|---|---|
| SMILES | CC(=O)N1CC(=O)NC(=CC2=CC=CC=C2)C1=O |
Product Overview
1-Acetyl-3-benzylidene-2,5-piperazinedione (CAS 41808-11-1), with molecular formula C13H12N2O3 and molecular weight 244.08 g/mol. IUPAC: 1-acetyl-3-benzylidenepiperazine-2,5-dione.
Chemical Property Profile of 1-Acetyl-3-benzylidene-2,5-piperazinedione
Property Insights of 1-Acetyl-3-benzylidene-2,5-piperazinedione
The XLogP value of 0.5324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-3-benzylidene-2,5-piperazinedione. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-3-benzylidene-2,5-piperazinedione. Following Lipinski's Rule of Five, 1-Acetyl-3-benzylidene-2,5-piperazinedione has 1 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 1-Acetyl-3-benzylidene-2,5-piperazinedione?
The CAS number of 1-Acetyl-3-benzylidene-2,5-piperazinedione is 41808-11-1.
What is the molecular formula of 1-Acetyl-3-benzylidene-2,5-piperazinedione?
The molecular formula of 1-Acetyl-3-benzylidene-2,5-piperazinedione is C13H12N2O3.
What is the molecular weight of 1-Acetyl-3-benzylidene-2,5-piperazinedione?
The molecular weight of 1-Acetyl-3-benzylidene-2,5-piperazinedione is 244.08 g/mol.
Where can I buy 1-Acetyl-3-benzylidene-2,5-piperazinedione?
You can request a quote for 1-Acetyl-3-benzylidene-2,5-piperazinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-3-benzylidene-2,5-piperazinedione?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-3-benzylidene-2,5-piperazinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.