Monoethyl malonate
TL;DR: Monoethyl malonate (CAS 1071-46-1) is a chemical compound with molecular formula C5H8O4 and molecular weight 132.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-3-oxopropanoic acid
Also Known As: Ethyl hydrogen malonate, 3-ethoxy-3-oxopropanoic acid, Monoethyl malonate, mono-Ethyl malonate, monoethyl malonic acid
| Molecular Formula | C5H8O4 |
|---|---|
| Molecular Weight | 132.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.04225 |
| Heavy Atoms | 9 |
| Complexity | 118.0 |
| Melting Point | 47 - 50 °C |
Chemical Identifiers
| CAS Number | 1071-46-1 |
|---|---|
| SMILES | CCOC(=O)CC(=O)O |
| InChIKey | HGINADPHJQTSKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monoethyl malonate (CAS 1071-46-1), with molecular formula C5H8O4 and molecular weight 132.04 g/mol. IUPAC: 3-ethoxy-3-oxopropanoic acid.
Chemical Property Profile of Monoethyl malonate
Property Insights of Monoethyl malonate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monoethyl malonate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Monoethyl malonate. Following Lipinski's Rule of Five, Monoethyl malonate 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 Monoethyl malonate?
The CAS number of Monoethyl malonate is 1071-46-1.
What is the molecular formula of Monoethyl malonate?
The molecular formula of Monoethyl malonate is C5H8O4.
What is the molecular weight of Monoethyl malonate?
The molecular weight of Monoethyl malonate is 132.04 g/mol.
Where can I buy Monoethyl malonate?
You can request a quote for Monoethyl malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoethyl malonate?
Yes, KEHONG BIO provides custom synthesis services for Monoethyl malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.