4-Oxo-6-phenylhex-5-enoic acid
TL;DR: 4-Oxo-6-phenylhex-5-enoic acid (CAS 121365-22-8) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-6-phenylhex-5-enoic acid
Also Known As: 4-oxo-6-phenylhex-5-enoic acid, Bionet2_001636, (E)-4-oxo-6-phenyl-5-hexenoic acid, 4-Oxo-6-phenyl-5-hexenoic acid, 4-oxo-6-phenyl-hex-5-enoic acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12O3 |
| Molecular Weight | 204.07864 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.07864 Da |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
| SMILES | C1=CC=C(C=C1)C=CC(=O)CCC(=O)O |
| InChIKey | WHJRPMKIJXEPDG-UHFFFAOYSA-N |
Chemical Property Profile of 4-Oxo-6-phenylhex-5-enoic acid
Property Insights of 4-Oxo-6-phenylhex-5-enoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-6-phenylhex-5-enoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Oxo-6-phenylhex-5-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-6-phenylhex-5-enoic acid has 1 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-Oxo-6-phenylhex-5-enoic acid?
The CAS number of 4-Oxo-6-phenylhex-5-enoic acid is 121365-22-8.
What is the molecular formula of 4-Oxo-6-phenylhex-5-enoic acid?
The molecular formula of 4-Oxo-6-phenylhex-5-enoic acid is C12H12O3.
What is the molecular weight of 4-Oxo-6-phenylhex-5-enoic acid?
The molecular weight of 4-Oxo-6-phenylhex-5-enoic acid is 204.07864 g/mol.
Where can I buy 4-Oxo-6-phenylhex-5-enoic acid?
You can request a quote for 4-Oxo-6-phenylhex-5-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Oxo-6-phenylhex-5-enoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Oxo-6-phenylhex-5-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.