2-Methyl-malonic acid monoethyl ester
TL;DR: 2-Methyl-malonic acid monoethyl ester (CAS 2985-33-3) is a chemical compound with molecular formula C6H10O4 and molecular weight 146.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-2-methyl-3-oxopropanoic acid
Also Known As: 3-ethoxy-2-methyl-3-oxopropanoic acid, 2-Methyl-malonic acid monoethyl ester, ethyl 2-carboxypropionate, methylmalonic acid monoethyl ester, Monoethyl methylpropanedioate
| Molecular Formula | C6H10O4 |
|---|---|
| Molecular Weight | 146.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.0579 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 2985-33-3 |
|---|---|
| SMILES | CCOC(=O)C(C)C(=O)O |
| InChIKey | REGOCDRDNZNRMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-malonic acid monoethyl ester (CAS 2985-33-3), with molecular formula C6H10O4 and molecular weight 146.06 g/mol. IUPAC: 3-ethoxy-2-methyl-3-oxopropanoic acid.
Chemical Property Profile of 2-Methyl-malonic acid monoethyl ester
Property Insights of 2-Methyl-malonic acid monoethyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-malonic acid monoethyl ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-malonic acid monoethyl ester. Following Lipinski's Rule of Five, 2-Methyl-malonic acid monoethyl ester 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 2-Methyl-malonic acid monoethyl ester?
The CAS number of 2-Methyl-malonic acid monoethyl ester is 2985-33-3.
What is the molecular formula of 2-Methyl-malonic acid monoethyl ester?
The molecular formula of 2-Methyl-malonic acid monoethyl ester is C6H10O4.
What is the molecular weight of 2-Methyl-malonic acid monoethyl ester?
The molecular weight of 2-Methyl-malonic acid monoethyl ester is 146.06 g/mol.
Where can I buy 2-Methyl-malonic acid monoethyl ester?
You can request a quote for 2-Methyl-malonic acid monoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-malonic acid monoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-malonic acid monoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.