4-Cyanobenzaldehyde
TL;DR: 4-Cyanobenzaldehyde (CAS 105-07-7) is a chemical compound with molecular formula C8H5NO and molecular weight 131.03711 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-formylbenzonitrile
Also Known As: 4-Cyanobenzaldehyde, 4-Formylbenzonitrile, p-Cyanobenzaldehyde, p-Formylbenzonitrile, Benzonitrile, 4-formyl-
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H5NO |
| Molecular Weight | 131.03711 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.03711 Da |
| Heavy Atoms | 10 |
| Complexity | 159.0 |
| SMILES | C1=CC(=CC=C1C=O)C#N |
| InChIKey | WZWIQYMTQZCSKI-UHFFFAOYSA-N |
Chemical Property Profile of 4-Cyanobenzaldehyde
Property Insights of 4-Cyanobenzaldehyde
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanobenzaldehyde. With a topological polar surface area (TPSA) of 40.9 Ų, 4-Cyanobenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanobenzaldehyde has 0 hydrogen bond donor(s) and 2 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-Cyanobenzaldehyde?
The CAS number of 4-Cyanobenzaldehyde is 105-07-7.
What is the molecular formula of 4-Cyanobenzaldehyde?
The molecular formula of 4-Cyanobenzaldehyde is C8H5NO.
What is the molecular weight of 4-Cyanobenzaldehyde?
The molecular weight of 4-Cyanobenzaldehyde is 131.03711 g/mol.
Where can I buy 4-Cyanobenzaldehyde?
You can request a quote for 4-Cyanobenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Cyanobenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 4-Cyanobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.