3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile)
TL;DR: 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile) (CAS 127219-26-5) is a chemical compound with molecular formula C10H12N4O2 and molecular weight 220.09602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(2-cyanoacetyl)piperazin-1-yl]-3-oxopropanenitrile
Also Known As: 3,3'-piperazine-1,4-diylbis(3-oxopropanenitrile), 3-[4-(2-cyanoacetyl)piperazin-1-yl]-3-oxopropanenitrile, 3,3'-(piperazine-1,4-diyl)bis(3-oxopropanenitrile), 1,4-Piperazinedipropanenitrile, beta1,beta4-dioxo-, 3-[4-(2-cyanoacetyl)piperazin-1-yl]-3-oxo-propanenitrile
Technical Specifications
| Molecular Formula | C10H12N4O2 |
| Molecular Weight | 220.09602 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.09602 Da |
| Heavy Atoms | 16 |
| Complexity | 340.0 |
| SMILES | C1CN(CCN1C(=O)CC#N)C(=O)CC#N |
| InChIKey | KBMOXEMJQQEOFF-UHFFFAOYSA-N |
Chemical Property Profile of 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile)
Property Insights of 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile)
The XLogP value of -1.2 indicates that 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile). Following Lipinski's Rule of Five, 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile)?
The CAS number of 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile) is 127219-26-5.
What is the molecular formula of 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile)?
The molecular formula of 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile) is C10H12N4O2.
What is the molecular weight of 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile)?
The molecular weight of 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile) is 220.09602 g/mol.
Where can I buy 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile)?
You can request a quote for 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile)?
Yes, CoreyChem provides custom synthesis services for 3,3'-Piperazine-1,4-diylbis(3-oxopropanenitrile) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.