4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile
TL;DR: 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile (CAS 384374-90-7) is a chemical compound with molecular formula C26H10N4 and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-[2-(3,4-dicyanophenyl)ethynyl]phenyl]ethynyl]benzene-1,2-dicarbonitrile
Also Known As: 4,4'-(1,4-phenylenebis(ethyne-2,1-diyl))diphthalonitrile, 4,4'-(benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile, 4-[2-[4-[2-(3,4-dicyanophenyl)ethynyl]phenyl]ethynyl]benzene-1,2-dicarbonitrile
| Molecular Formula | C26H10N4 |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 3.97292 |
| Topological Polar Surface Area | 95.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 378.09055 |
| Heavy Atoms | 30 |
| Complexity | 1314.2999 |
Chemical Identifiers
| CAS Number | 384374-90-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C#CC2=CC(=C(C=C2)C#N)C#N)C#CC3=CC(=C(C=C3)C#N)C#N |
Product Overview
4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile (CAS 384374-90-7), with molecular formula C26H10N4 and molecular weight 378.09 g/mol. IUPAC: 4-[2-[4-[2-(3,4-dicyanophenyl)ethynyl]phenyl]ethynyl]benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile
Property Insights of 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile
The XLogP value of 3.97292 indicates that 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-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 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile?
The CAS number of 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile is 384374-90-7.
What is the molecular formula of 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile?
The molecular formula of 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile is C26H10N4.
What is the molecular weight of 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile?
The molecular weight of 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile is 378.09 g/mol.
Where can I buy 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile?
You can request a quote for 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(Benzene-1,4-diyldiethyne-2,1-diyl)dibenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.