Piperazine-1,4-dicarbonitrile
TL;DR: Piperazine-1,4-dicarbonitrile (CAS 22005-33-0) is a chemical compound with molecular formula C6H8N4 and molecular weight 136.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
piperazine-1,4-dicarbonitrile
Also Known As: Piperazine-1,4-dicarbonitrile, 1,4-Dicyanopiperazine, 1,4-Piperazinedicarbonitrile, 1,4-Dicyanopiperazine #, EINECS 244-713-7
| Molecular Formula | C6H8N4 |
|---|---|
| Molecular Weight | 136.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.07489 |
| Heavy Atoms | 10 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 22005-33-0 |
|---|---|
| SMILES | C1CN(CCN1C#N)C#N |
| InChIKey | LYNGZIQNNXHQLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Piperazine-1,4-dicarbonitrile (CAS 22005-33-0), with molecular formula C6H8N4 and molecular weight 136.07 g/mol. IUPAC: piperazine-1,4-dicarbonitrile.
Chemical Property Profile of Piperazine-1,4-dicarbonitrile
Property Insights of Piperazine-1,4-dicarbonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine-1,4-dicarbonitrile. With a topological polar surface area (TPSA) of 54.1 Ų, Piperazine-1,4-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine-1,4-dicarbonitrile 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
Frequently Asked Questions
What is the CAS number of Piperazine-1,4-dicarbonitrile?
The CAS number of Piperazine-1,4-dicarbonitrile is 22005-33-0.
What is the molecular formula of Piperazine-1,4-dicarbonitrile?
The molecular formula of Piperazine-1,4-dicarbonitrile is C6H8N4.
What is the molecular weight of Piperazine-1,4-dicarbonitrile?
The molecular weight of Piperazine-1,4-dicarbonitrile is 136.07 g/mol.
Where can I buy Piperazine-1,4-dicarbonitrile?
You can request a quote for Piperazine-1,4-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine-1,4-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Piperazine-1,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.