2,3-Piperazinedione, 1-octyl-
TL;DR: 2,3-Piperazinedione, 1-octyl- (CAS 59702-37-3) is a chemical compound with molecular formula C12H22N2O2 and molecular weight 226.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-octylpiperazine-2,3-dione
Also Known As: 2,3-Piperazinedione, 1-octyl-, 1-Octyl-2,3-piperazinedione, 4-Octyl-2,3-dioxopiperazine, 4-Octyl-2,3-piperazinedione, 1-octylpiperazine-2,3-dione
| Molecular Formula | C12H22N2O2 |
|---|---|
| Molecular Weight | 226.17 g/mol |
| LogP | 1.3053 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.16812 |
| Heavy Atoms | 16 |
| Complexity | 241.17326 |
Chemical Identifiers
| CAS Number | 59702-37-3 |
|---|---|
| SMILES | CCCCCCCCN1CCNC(=O)C1=O |
Product Overview
2,3-Piperazinedione, 1-octyl- (CAS 59702-37-3), with molecular formula C12H22N2O2 and molecular weight 226.17 g/mol. IUPAC: 1-octylpiperazine-2,3-dione.
Chemical Property Profile of 2,3-Piperazinedione, 1-octyl-
Property Insights of 2,3-Piperazinedione, 1-octyl-
The XLogP value of 1.3053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Piperazinedione, 1-octyl-. With a topological polar surface area (TPSA) of 49.41 Ų, 2,3-Piperazinedione, 1-octyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Piperazinedione, 1-octyl- 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 2,3-Piperazinedione, 1-octyl-?
The CAS number of 2,3-Piperazinedione, 1-octyl- is 59702-37-3.
What is the molecular formula of 2,3-Piperazinedione, 1-octyl-?
The molecular formula of 2,3-Piperazinedione, 1-octyl- is C12H22N2O2.
What is the molecular weight of 2,3-Piperazinedione, 1-octyl-?
The molecular weight of 2,3-Piperazinedione, 1-octyl- is 226.17 g/mol.
Where can I buy 2,3-Piperazinedione, 1-octyl-?
You can request a quote for 2,3-Piperazinedione, 1-octyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Piperazinedione, 1-octyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Piperazinedione, 1-octyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.