4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid
TL;DR: 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid (CAS 158063-67-3) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid
Also Known As: 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid, 4-(3-Ethoxy-4-hydroxy-phenyl)-4-oxo-butyric acid, BAS 11542523, 2,6-dichloro-4-(trifluoromethyl)nicotinamide, 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoicacid
Technical Specifications
| Molecular Formula | C12H14O5 |
| Molecular Weight | 238.08412 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.08412 Da |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
| SMILES | CCOC1=C(C=CC(=C1)C(=O)CCC(=O)O)O |
| InChIKey | HMFFSXFQTCZSLY-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid
Property Insights of 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 5 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-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid?
The CAS number of 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid is 158063-67-3.
What is the molecular formula of 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid?
The molecular formula of 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid is C12H14O5.
What is the molecular weight of 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid?
The molecular weight of 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid is 238.08412 g/mol.
Where can I buy 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid?
You can request a quote for 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(3-Ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.