2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile)
TL;DR: 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile) (CAS 17239-70-2) is a chemical compound with molecular formula C14H6N4 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(2,2-dicyanoethenyl)phenyl]methylidene]propanedinitrile
Also Known As: m-Xylylidene malononitrile, (m-Phenylenedimethylidyne)dimalononitrile, MALONONITRILE, (m-PHENYLENEDIMETHYLIDYNE)DI-, 2-[[3-(2,2-dicyanoethenyl)phenyl]methylidene]propanedinitrile, 2,2'-(1,3-Phenylenedimethanylylidene)dipropanedinitrile
| Molecular Formula | C14H6N4 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.05925 |
| Heavy Atoms | 18 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 17239-70-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C=C(C#N)C#N)C=C(C#N)C#N |
| InChIKey | PFCGCDSJVMFOLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile) (CAS 17239-70-2), with molecular formula C14H6N4 and molecular weight 230.06 g/mol. IUPAC: 2-[[3-(2,2-dicyanoethenyl)phenyl]methylidene]propanedinitrile.
Chemical Property Profile of 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile)
Property Insights of 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile)
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile). The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile). Following Lipinski's Rule of Five, 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile) 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 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile)?
The CAS number of 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile) is 17239-70-2.
What is the molecular formula of 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile)?
The molecular formula of 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile) is C14H6N4.
What is the molecular weight of 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile)?
The molecular weight of 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile) is 230.06 g/mol.
Where can I buy 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile)?
You can request a quote for 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile)?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-(1,3-Phenylenedimethylidyne)bis(propanedinitrile) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.