ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate
TL;DR: ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate (CAS 40559-90-8) 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 (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate
Also Known As: ethyl 2-cyano-2-(tosyloxyimino)acetate, J3.227.157J, Ethyl 2-cyano-2-(4-methylphenyl)sulfonyloxyimino-acetate, ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate, (E)-(ethyl cyano({[(4-methylbenzenesulfonyl)oxy]imino})formate)
| 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 | 40559-90-8 |
|---|---|
| SMILES | CCOC(=O)/C(=N/OS(=O)(=O)C1=CC=C(C=C1)C)/C#N |
Product Overview
ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate (CAS 40559-90-8), with molecular formula C12H12N2O5S and molecular weight 296.05 g/mol. IUPAC: ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate.
Chemical Property Profile of ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate
Property Insights of ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate
The XLogP value of 1.143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate. The TPSA of 105.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate. Following Lipinski's Rule of Five, ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate 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 (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate?
The CAS number of ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate is 40559-90-8.
What is the molecular formula of ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate?
The molecular formula of ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate is C12H12N2O5S.
What is the molecular weight of ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate?
The molecular weight of ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate is 296.05 g/mol.
Where can I buy ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate?
You can request a quote for ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-2-cyano-2-(4-methylphenyl)sulfonyloxyiminoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.