Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate
TL;DR: Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate (CAS 89779-31-7) is a chemical compound with molecular formula C12H12N2O5S and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate
Also Known As: ethyl tosyloximinoglyoxate, ethyl 2-cyano-2-(tosyloxyimino)acetate, ethyl 2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate, ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate, Ethyl 2-cyano-2-(4-methylphenyl)sulfonyloxyimino-acetate
| Molecular Formula | C12H12N2O5S |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 1.143 |
| Topological Polar Surface Area | 105.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.0467 |
| Heavy Atoms | 20 |
| Complexity | 656.08325 |
Chemical Identifiers
| CAS Number | 89779-31-7 |
|---|---|
| SMILES | CCOC(=O)C(=NOS(=O)(=O)C1=CC=C(C=C1)C)C#N |
Product Overview
Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate (CAS 89779-31-7), with molecular formula C12H12N2O5S and molecular weight 296.05 g/mol. IUPAC: ethyl 2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate.
Chemical Property Profile of Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate
Property Insights of Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate
The XLogP value of 1.143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate. The TPSA of 105.82 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate. Following Lipinski's Rule of Five, Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate has 0 hydrogen bond donor(s) and 7 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 Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate?
The CAS number of Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate is 89779-31-7.
What is the molecular formula of Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate?
The molecular formula of Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate is C12H12N2O5S.
What is the molecular weight of Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate?
The molecular weight of Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate is 296.05 g/mol.
Where can I buy Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate?
You can request a quote for Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(p-toluenesulfonyloxyimino)-2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.