3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid
TL;DR: 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid (CAS 6331-49-3) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-2,2-dimethyl-3-oxopropanoic acid
Also Known As: 3-ethoxy-2,2-dimethyl-3-oxopropanoic acid, DIMETHYLMALONIC ACID MONOETHYL ESTER, Dimethylmalonsaureathylester, 3-ethoxy-2,2-dimethyl-3-oxopropanoicacid, 2,2-dimethylmalonic acid monoethyl ester
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 6331-49-3 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)C(=O)O |
| InChIKey | WDWFSABLPAHCPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid (CAS 6331-49-3), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 3-ethoxy-2,2-dimethyl-3-oxopropanoic acid.
Chemical Property Profile of 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid
Property Insights of 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid. Following Lipinski's Rule of Five, 3-Ethoxy-2,2-dimethyl-3-oxopropanoic 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
Frequently Asked Questions
What is the CAS number of 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid?
The CAS number of 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid is 6331-49-3.
What is the molecular formula of 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid?
The molecular formula of 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid is C7H12O4.
What is the molecular weight of 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid?
The molecular weight of 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid is 160.07 g/mol.
Where can I buy 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid?
You can request a quote for 3-Ethoxy-2,2-dimethyl-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-Ethoxy-2,2-dimethyl-3-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.