2-Phenyl-4-pentenal
TL;DR: 2-Phenyl-4-pentenal (CAS 122800-80-0) is a chemical compound with molecular formula C11H12O and molecular weight 160.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylpent-4-enal
Also Known As: 2-phenylpent-4-enal, 2-Phenyl-4-pentenal, 4-Pentenal, 2-phenyl-, FEMA No. 3519, 2-phenyl-pent-4-enal
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O |
| Molecular Weight | 160.08882 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.08882 Da |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
| SMILES | C=CCC(C=O)C1=CC=CC=C1 |
| InChIKey | PBWQZEMADHTUIF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenyl-4-pentenal
Property Insights of 2-Phenyl-4-pentenal
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-4-pentenal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Phenyl-4-pentenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-4-pentenal has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Phenyl-4-pentenal?
The CAS number of 2-Phenyl-4-pentenal is 122800-80-0.
What is the molecular formula of 2-Phenyl-4-pentenal?
The molecular formula of 2-Phenyl-4-pentenal is C11H12O.
What is the molecular weight of 2-Phenyl-4-pentenal?
The molecular weight of 2-Phenyl-4-pentenal is 160.08882 g/mol.
Where can I buy 2-Phenyl-4-pentenal?
You can request a quote for 2-Phenyl-4-pentenal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenyl-4-pentenal?
Yes, CoreyChem provides custom synthesis services for 2-Phenyl-4-pentenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.