p-Benzenedimalononitrile
TL;DR: p-Benzenedimalononitrile (CAS 1874-85-7) is a chemical compound with molecular formula C12H6N4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(dicyanomethyl)phenyl]propanedinitrile
Also Known As: p-Benzenedimalononitrile, Tetracyano-p-xylene, 2,2'-(1,4-Phenylene)dimalononitrile, p-phenylenedimalononitrile, 2-[4-(dicyanomethyl)phenyl]propanedinitrile
| Molecular Formula | C12H6N4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.05925 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 1874-85-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C#N)C#N)C(C#N)C#N |
| InChIKey | WASJFLRMRDGSBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Benzenedimalononitrile (CAS 1874-85-7), with molecular formula C12H6N4 and molecular weight 206.06 g/mol. IUPAC: 2-[4-(dicyanomethyl)phenyl]propanedinitrile.
Chemical Property Profile of p-Benzenedimalononitrile
Property Insights of p-Benzenedimalononitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Benzenedimalononitrile. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for p-Benzenedimalononitrile. Following Lipinski's Rule of Five, p-Benzenedimalononitrile 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 p-Benzenedimalononitrile?
The CAS number of p-Benzenedimalononitrile is 1874-85-7.
What is the molecular formula of p-Benzenedimalononitrile?
The molecular formula of p-Benzenedimalononitrile is C12H6N4.
What is the molecular weight of p-Benzenedimalononitrile?
The molecular weight of p-Benzenedimalononitrile is 206.06 g/mol.
Where can I buy p-Benzenedimalononitrile?
You can request a quote for p-Benzenedimalononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Benzenedimalononitrile?
Yes, KEHONG BIO provides custom synthesis services for p-Benzenedimalononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.