Ethylene bis(cyanoacetate)
TL;DR: Ethylene bis(cyanoacetate) (CAS 89976-96-5) is a chemical compound with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyanoacetyl)oxyethyl 2-cyanoacetate
Also Known As: Ethylene bis(cyanoacetate), ETHYLENE DICYANOACETATE, NCIOpen2_000457, ethane-1,2-diyl bis(cyanoacetate), 2-(2-cyanoacetyl)oxyethyl 2-cyanoacetate
| Molecular Formula | C8H8N2O4 |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 196.0484 |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 89976-96-5 |
|---|---|
| SMILES | C(COC(=O)CC#N)OC(=O)CC#N |
| InChIKey | UASCOHMZKHIVQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylene bis(cyanoacetate) (CAS 89976-96-5), with molecular formula C8H8N2O4 and molecular weight 196.05 g/mol. IUPAC: 2-(2-cyanoacetyl)oxyethyl 2-cyanoacetate.
Chemical Property Profile of Ethylene bis(cyanoacetate)
Property Insights of Ethylene bis(cyanoacetate)
The XLogP value of -0.2 indicates that Ethylene bis(cyanoacetate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethylene bis(cyanoacetate). Following Lipinski's Rule of Five, Ethylene bis(cyanoacetate) has 0 hydrogen bond donor(s) and 6 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 Ethylene bis(cyanoacetate)?
The CAS number of Ethylene bis(cyanoacetate) is 89976-96-5.
What is the molecular formula of Ethylene bis(cyanoacetate)?
The molecular formula of Ethylene bis(cyanoacetate) is C8H8N2O4.
What is the molecular weight of Ethylene bis(cyanoacetate)?
The molecular weight of Ethylene bis(cyanoacetate) is 196.05 g/mol.
Where can I buy Ethylene bis(cyanoacetate)?
You can request a quote for Ethylene bis(cyanoacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylene bis(cyanoacetate)?
Yes, KEHONG BIO provides custom synthesis services for Ethylene bis(cyanoacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.