6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid
TL;DR: 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid (CAS 121365-28-4) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-ethoxyphenyl)-4-oxohex-5-enoic acid
Also Known As: Bionet2_001672, 6-(4-ethoxyphenyl)-4-oxohex-5-enoic acid, (E)-6-(4-ethoxyphenyl)-4-oxo-5-hexenoic acid
Technical Specifications
| Molecular Formula | C14H16O4 |
| Molecular Weight | 248.10486 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.10486 Da |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
| SMILES | CCOC1=CC=C(C=C1)C=CC(=O)CCC(=O)O |
| InChIKey | WVIFKBMCEYSBQB-UHFFFAOYSA-N |
Chemical Property Profile of 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid
Property Insights of 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid. Following Lipinski's Rule of Five, 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic 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 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid?
The CAS number of 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid is 121365-28-4.
What is the molecular formula of 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid?
The molecular formula of 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid is C14H16O4.
What is the molecular weight of 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid?
The molecular weight of 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid is 248.10486 g/mol.
Where can I buy 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid?
You can request a quote for 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid?
Yes, CoreyChem provides custom synthesis services for 6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.