![4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile] structure](/static/products/1300/13001-40-6.webp)
4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]
TL;DR: 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile] (CAS 13001-40-6) is a chemical compound with molecular formula C24H16N2 and molecular weight 332.13135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[4-[2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
Also Known As: 1,4-Bis(4-Cyanostyryl)Benzene, Optical Brightener 199, 4,4'-(1,4-Phenylenebis(ethene-2,1-diyl))dibenzonitrile, FLUORESCENT BRIGHTENER 199, MSK163198-100F
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C24H16N2 |
| Molecular Weight | 332.13135 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.13135 Da |
| Heavy Atoms | 26 |
| Complexity | 520.0 |
| SMILES | C1=CC(=CC=C1C=CC2=CC=C(C=C2)C#N)C=CC3=CC=C(C=C3)C#N |
| InChIKey | KIAAMJMIIHTGBH-UHFFFAOYSA-N |
Chemical Property Profile of 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]
Property Insights of 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]
The XLogP value of 5.9 indicates that 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile] has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]?
The CAS number of 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile] is 13001-40-6.
What is the molecular formula of 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]?
The molecular formula of 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile] is C24H16N2.
What is the molecular weight of 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]?
The molecular weight of 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile] is 332.13135 g/mol.
Where can I buy 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]?
You can request a quote for 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile] directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]?
Yes, CoreyChem provides custom synthesis services for 4,4'-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.