(Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
TL;DR: (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate (CAS 799810-07-4) is a chemical compound with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[(2E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
Also Known As: (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate, [2-[1-Carbamoyl-1-cyano-meth-(E)-ylidene]-4-oxo-3-phenyl-thiazolidin-(5Z)-ylidene]-acetic acid ethyl ester, ethyl (2Z)-2-[(2E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
| Molecular Formula | C16H13N3O4S |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | -0.59782 |
| Topological Polar Surface Area | 115.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.06268 |
| Heavy Atoms | 24 |
| Complexity | 996.6691 |
Chemical Identifiers
| CAS Number | 799810-07-4 |
|---|---|
| SMILES | CCOC(=O)/C=C\1/C(=O)N(/C(=C(/C#N)\C(=O)N)/S1)C2=CC=CC=C2 |
Product Overview
(Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate (CAS 799810-07-4), with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol. IUPAC: ethyl (2Z)-2-[(2E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate.
Chemical Property Profile of (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
Property Insights of (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
The XLogP value of -0.59782 indicates that (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate. Following Lipinski's Rule of Five, (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-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 (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
The CAS number of (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate is 799810-07-4.
What is the molecular formula of (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
The molecular formula of (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate is C16H13N3O4S.
What is the molecular weight of (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
The molecular weight of (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate is 343.06 g/mol.
Where can I buy (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
You can request a quote for (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-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 (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-((E)-2-(2-amino-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.