![4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile structure](/static/products/1599/15996-74-4.webp)
4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile
TL;DR: 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile (CAS 15996-74-4) is a chemical compound with molecular formula C16H10N2O2 and molecular weight 262.07422 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(1,3-dioxoisoindol-2-yl)methyl]benzonitrile
Also Known As: 4-[(1,3-dioxoisoindol-2-yl)methyl]benzonitrile, 4-phthalimidomethylbenzonitrile, N-(4-cyano-benzyl)phthalimide, 4-((1,3-dioxoisoindolin-2-yl)methyl)benzonitrile, 4-[(1,3-dioxoisoindolin-2-yl)methyl]benzonitrile
Technical Specifications
| Molecular Formula | C16H10N2O2 |
| Molecular Weight | 262.07422 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.07422 Da |
| Heavy Atoms | 20 |
| Complexity | 432.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)C#N |
| InChIKey | PAKQBGKIYWXTMG-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile
Property Insights of 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile. Following Lipinski's Rule of Five, 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile?
The CAS number of 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile is 15996-74-4.
What is the molecular formula of 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile?
The molecular formula of 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile is C16H10N2O2.
What is the molecular weight of 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile?
The molecular weight of 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile is 262.07422 g/mol.
Where can I buy 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile?
You can request a quote for 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-[(1,3-Dioxoisoindol-2-yl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.