3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid
TL;DR: 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid (CAS 60179-43-3) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dimethylphenoxy)-3-oxopropanoic acid
Also Known As: 3-(2,6-dimethylphenoxy)-3-oxopropanoate, 3-(2,6-dimethylphenoxy)-3-oxopropanoic acid, 3-(2,6-dimethylphenoxy)-3-oxo-propanoic Acid
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.68354 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 375.32443 |
Chemical Identifiers
| CAS Number | 60179-43-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OC(=O)CC(=O)O |
Product Overview
3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid (CAS 60179-43-3), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 3-(2,6-dimethylphenoxy)-3-oxopropanoic acid.
Chemical Property Profile of 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid
Property Insights of 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid
The XLogP value of 1.68354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid. Following Lipinski's Rule of Five, 3-(2,6-Dimethylphenoxy)-3-oxopropanoic 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 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid?
The CAS number of 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid is 60179-43-3.
What is the molecular formula of 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid?
The molecular formula of 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid is C11H12O4.
What is the molecular weight of 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid?
The molecular weight of 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid is 208.07 g/mol.
Where can I buy 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid?
You can request a quote for 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,6-Dimethylphenoxy)-3-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.