2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate
TL;DR: 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate (CAS 53853-45-5) is a chemical compound with molecular formula C8H5N4O2- and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-cyano-2-[(1-cyano-2-ethoxy-2-oxoethylidene)amino]ethenylidene]azanide
Also Known As: 2-cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate, 2-Cyano-2-[(1,3-dinitrilopropan-2-ylidene)amino]-1-ethoxyethen-1-olate
| Molecular Formula | C8H5N4O2- |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 0.16066 |
| Topological Polar Surface Area | 108.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.04124 |
| Heavy Atoms | 14 |
| Complexity | 390.5448 |
Chemical Identifiers
| CAS Number | 53853-45-5 |
|---|---|
| SMILES | CCOC(=O)C(=NC(=C=[N-])C#N)C#N |
Product Overview
2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate (CAS 53853-45-5), with molecular formula C8H5N4O2- and molecular weight 189.04 g/mol. IUPAC: [2-cyano-2-[(1-cyano-2-ethoxy-2-oxoethylidene)amino]ethenylidene]azanide.
Chemical Property Profile of 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate
Property Insights of 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate
The XLogP value of 0.16066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate. The TPSA of 108.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate. Following Lipinski's Rule of Five, 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate has 0 hydrogen bond donor(s) and 5 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-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate?
The CAS number of 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate is 53853-45-5.
What is the molecular formula of 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate?
The molecular formula of 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate is C8H5N4O2-.
What is the molecular weight of 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate?
The molecular weight of 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate is 189.04 g/mol.
Where can I buy 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate?
You can request a quote for 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-2-(dicyanomethylideneamino)-1-ethoxyethenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.