4-(5-Cyano-3-oxopent-1-enyl)benzoic acid
TL;DR: 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid (CAS 142382-11-4) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(5-cyano-3-oxopent-1-enyl)benzoic acid
Also Known As: 1-(p-Carboxyphenyl)-5-cyano-3-oxo-1-pentene
Technical Specifications
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.0739 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 229.0739 Da |
| Heavy Atoms | 17 |
| Complexity | 356.0 |
| SMILES | C1=CC(=CC=C1C=CC(=O)CCC#N)C(=O)O |
| InChIKey | VPEADOQUOSTJLX-UHFFFAOYSA-N |
Chemical Property Profile of 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid
Property Insights of 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid. Following Lipinski's Rule of Five, 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid has 1 hydrogen bond donor(s) and 4 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-(5-Cyano-3-oxopent-1-enyl)benzoic acid?
The CAS number of 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid is 142382-11-4.
What is the molecular formula of 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid?
The molecular formula of 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid is C13H11NO3.
What is the molecular weight of 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid?
The molecular weight of 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid is 229.0739 g/mol.
Where can I buy 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid?
You can request a quote for 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(5-Cyano-3-oxopent-1-enyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.