Ethoxymethyl malononitrile
TL;DR: Ethoxymethyl malononitrile (CAS 86240-43-9) is a chemical compound with molecular formula C6H8N2O and molecular weight 124.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(ethoxymethyl)propanedinitrile
Also Known As: ethoxymethylmalononitrile, (Ethoxymethyl)propanedinitrile, bis(2-cyano)diethyl ether, 2-(ethoxymethyl)propanedinitrile, ETHOXYMETHYL MALONONITRILE
| Molecular Formula | C6H8N2O |
|---|---|
| Molecular Weight | 124.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 124.06366 |
| Heavy Atoms | 9 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 86240-43-9 |
|---|---|
| SMILES | CCOCC(C#N)C#N |
| InChIKey | SVNZHYZHVDZJFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethoxymethyl malononitrile (CAS 86240-43-9), with molecular formula C6H8N2O and molecular weight 124.06 g/mol. IUPAC: 2-(ethoxymethyl)propanedinitrile.
Chemical Property Profile of Ethoxymethyl malononitrile
Property Insights of Ethoxymethyl malononitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethoxymethyl malononitrile. With a topological polar surface area (TPSA) of 56.8 Ų, Ethoxymethyl malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethoxymethyl malononitrile has 0 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 Ethoxymethyl malononitrile?
The CAS number of Ethoxymethyl malononitrile is 86240-43-9.
What is the molecular formula of Ethoxymethyl malononitrile?
The molecular formula of Ethoxymethyl malononitrile is C6H8N2O.
What is the molecular weight of Ethoxymethyl malononitrile?
The molecular weight of Ethoxymethyl malononitrile is 124.06 g/mol.
Where can I buy Ethoxymethyl malononitrile?
You can request a quote for Ethoxymethyl malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethoxymethyl malononitrile?
Yes, KEHONG BIO provides custom synthesis services for Ethoxymethyl malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.