4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid
TL;DR: 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid (CAS 58327-76-7) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethoxy-3,5-dimethylphenyl)-4-oxobutanoic acid
Also Known As: 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid, 4-(4-ethoxy-3,5-dimethylphenyl)-4-oxobutanoic acid, ASN 13010690, 3-Amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carboxylic acid
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.74964 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 439.85696 |
Chemical Identifiers
| CAS Number | 58327-76-7 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1C)C(=O)CCC(=O)O)C |
Product Overview
4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid (CAS 58327-76-7), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 4-(4-ethoxy-3,5-dimethylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid
Property Insights of 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid
The XLogP value of 2.74964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid. Following Lipinski's Rule of Five, 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric 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
Frequently Asked Questions
What is the CAS number of 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid?
The CAS number of 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid is 58327-76-7.
What is the molecular formula of 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid?
The molecular formula of 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid is C14H18O4.
What is the molecular weight of 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid?
The molecular weight of 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid is 250.12 g/mol.
Where can I buy 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid?
You can request a quote for 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Ethoxy-3,5-dimethyl-phenyl)-4-oxo-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.