(E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate
TL;DR: (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate (CAS 799800-46-7) is a chemical compound with molecular formula C11H10N2O4S and molecular weight 266.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[(2E)-2-(1-cyano-2-oxopropylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
Also Known As: (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate, ethyl (2E)-2-[(2E)-2-(1-cyano-2-oxopropylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
| Molecular Formula | C11H10N2O4S |
|---|---|
| Molecular Weight | 266.04 g/mol |
| LogP | -0.95672 |
| Topological Polar Surface Area | 100.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.03613 |
| Heavy Atoms | 18 |
| Complexity | 689.851 |
Chemical Identifiers
| CAS Number | 799800-46-7 |
|---|---|
| SMILES | CCOC(=O)/C=C/1\C(=O)N/C(=C(/C#N)\C(=O)C)/S1 |
Product Overview
(E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate (CAS 799800-46-7), with molecular formula C11H10N2O4S and molecular weight 266.04 g/mol. IUPAC: ethyl (2E)-2-[(2E)-2-(1-cyano-2-oxopropylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate.
Chemical Property Profile of (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate
Property Insights of (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate
The XLogP value of -0.95672 indicates that (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate. Following Lipinski's Rule of Five, (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate has 1 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 (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate?
The CAS number of (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate is 799800-46-7.
What is the molecular formula of (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate?
The molecular formula of (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate is C11H10N2O4S.
What is the molecular weight of (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate?
The molecular weight of (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate is 266.04 g/mol.
Where can I buy (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate?
You can request a quote for (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-((E)-2-(1-cyano-2-oxopropylidene)-4-oxothiazolidin-5-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.