Dimethyl dicyanofumarate
TL;DR: Dimethyl dicyanofumarate (CAS 59377-71-8) is a chemical compound with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (E)-2,3-dicyanobut-2-enedioate
Also Known As: dimethyl dicyanofumarate, dimethyl 2,3-dicyanofumarate, Dibrom-fumarsaeure-dimethylester, dimethyl 2,3-dicyanobut-2-enedioate, dimethyl (E)-2,3-dicyanobut-2-enedioate
| Molecular Formula | C8H6N2O4 |
|---|---|
| Molecular Weight | 194.03 g/mol |
| LogP | -0.32384 |
| Topological Polar Surface Area | 100.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.03276 |
| Heavy Atoms | 14 |
| Complexity | 333.78296 |
Chemical Identifiers
| CAS Number | 59377-71-8 |
|---|---|
| SMILES | COC(=O)/C(=C(\C#N)/C(=O)OC)/C#N |
Product Overview
Dimethyl dicyanofumarate (CAS 59377-71-8), with molecular formula C8H6N2O4 and molecular weight 194.03 g/mol. IUPAC: dimethyl (E)-2,3-dicyanobut-2-enedioate.
Chemical Property Profile of Dimethyl dicyanofumarate
Property Insights of Dimethyl dicyanofumarate
The XLogP value of -0.32384 indicates that Dimethyl dicyanofumarate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl dicyanofumarate. Following Lipinski's Rule of Five, Dimethyl dicyanofumarate 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 Dimethyl dicyanofumarate?
The CAS number of Dimethyl dicyanofumarate is 59377-71-8.
What is the molecular formula of Dimethyl dicyanofumarate?
The molecular formula of Dimethyl dicyanofumarate is C8H6N2O4.
What is the molecular weight of Dimethyl dicyanofumarate?
The molecular weight of Dimethyl dicyanofumarate is 194.03 g/mol.
Where can I buy Dimethyl dicyanofumarate?
You can request a quote for Dimethyl dicyanofumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl dicyanofumarate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl dicyanofumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.