3,3'-(Piperazine-1,4-diyl)dihexanedinitrile
TL;DR: 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile (CAS 102366-87-0) is a chemical compound with molecular formula C16H22N6 and molecular weight 298.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(1,4-dicyanobutan-2-yl)piperazin-1-yl]hexanedinitrile
Also Known As: 1,4-Bis(1,4-dicyano-2-butyl)piperazine, Adiponitrile, 2,2'-(1,4-piperazinylene)bis-, 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile, NCI60_020824, 1,4-Piperazinedibutanenitrile,
| Molecular Formula | C16H22N6 |
|---|---|
| Molecular Weight | 298.19 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 298.19058 |
| Heavy Atoms | 22 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 102366-87-0 |
|---|---|
| SMILES | C1CN(CCN1C(CCC#N)CC#N)C(CCC#N)CC#N |
| InChIKey | LGQVPACUGWLKCJ-UHFFFAOYSA-N |
Product Overview
3,3'-(Piperazine-1,4-diyl)dihexanedinitrile (CAS 102366-87-0), with molecular formula C16H22N6 and molecular weight 298.19 g/mol. IUPAC: 3-[4-(1,4-dicyanobutan-2-yl)piperazin-1-yl]hexanedinitrile.
Chemical Property Profile of 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile
Property Insights of 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile
The XLogP value of -0.3 indicates that 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile. Following Lipinski's Rule of Five, 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile has 0 hydrogen bond donor(s) and 6 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 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile?
The CAS number of 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile is 102366-87-0.
What is the molecular formula of 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile?
The molecular formula of 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile is C16H22N6.
What is the molecular weight of 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile?
The molecular weight of 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile is 298.19 g/mol.
Where can I buy 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile?
You can request a quote for 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(Piperazine-1,4-diyl)dihexanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.