ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate
TL;DR: ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate (CAS 135673-87-9) is a chemical compound with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate
Also Known As: ethyl E-(4-ethoxycarbonyl-2-oxazolidinylidene)cyanoacetate, ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate
| Molecular Formula | C11H14N2O5 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | -0.16382 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.09027 |
| Heavy Atoms | 18 |
| Complexity | 410.14685 |
Chemical Identifiers
| CAS Number | 135673-87-9 |
|---|---|
| SMILES | CCOC(=O)C1CO/C(=C(\C#N)/C(=O)OCC)/N1 |
Product Overview
ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate (CAS 135673-87-9), with molecular formula C11H14N2O5 and molecular weight 254.09 g/mol. IUPAC: ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate.
Chemical Property Profile of ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate
Property Insights of ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate
The XLogP value of -0.16382 indicates that ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate. Following Lipinski's Rule of Five, ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate has 1 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-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate?
The CAS number of ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate is 135673-87-9.
What is the molecular formula of ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate?
The molecular formula of ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate is C11H14N2O5.
What is the molecular weight of ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate?
The molecular weight of ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate is 254.09 g/mol.
Where can I buy ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate?
You can request a quote for ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate 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-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-2-(1-cyano-2-ethoxy-2-oxoethylidene)-1,3-oxazolidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.