(Z)-ethyl 2-((E)-2-(2-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
TL;DR: (Z)-ethyl 2-((E)-2-(2-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate (CAS 799779-72-9) is a chemical compound with molecular formula C23H19N3O4S and molecular weight 433.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-[(2E)-2-[2-(benzylamino)-1-cyano-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
Also Known As: (Z)-ethyl 2-((E)-2-(2-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate, ethyl (2Z)-2-[(2E)-2-[2-(benzylamino)-1-cyano-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate, Ethyl 2-[2-(benzylcarbamoyl-cyano-methylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
| Molecular Formula | C23H19N3O4S |
|---|---|
| Molecular Weight | 433.11 g/mol |
| LogP | 1.23328 |
| Topological Polar Surface Area | 101.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.10962 |
| Heavy Atoms | 31 |
| Complexity | 1302.8368 |
Chemical Identifiers
| CAS Number | 799779-72-9 |
|---|---|
| SMILES | CCOC(=O)/C=C\1/C(=O)N(/C(=C(/C#N)\C(=O)NCC2=CC=CC=C2)/S1)C3=CC=CC=C3 |
Product Overview
(Z)-ethyl 2-((E)-2-(2-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate (CAS 799779-72-9), with molecular formula C23H19N3O4S and molecular weight 433.11 g/mol. IUPAC: ethyl (2Z)-2-[(2E)-2-[2-(benzylamino)-1-cyano-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate.
Chemical Property Profile of (Z)-ethyl 2-((E)-2-(2-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
Property Insights of (Z)-ethyl 2-((E)-2-(2-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate
The XLogP value of 1.23328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-ethyl 2-((E)-2-(2-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate. The TPSA of 101.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-((E)-2-(2-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate. Following Lipinski's Rule of Five, (Z)-ethyl 2-((E)-2-(2-(benzylamino)-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-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
The CAS number of (Z)-ethyl 2-((E)-2-(2-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate is 799779-72-9.
What is the molecular formula of (Z)-ethyl 2-((E)-2-(2-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
The molecular formula of (Z)-ethyl 2-((E)-2-(2-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate is C23H19N3O4S.
What is the molecular weight of (Z)-ethyl 2-((E)-2-(2-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
The molecular weight of (Z)-ethyl 2-((E)-2-(2-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate is 433.11 g/mol.
Where can I buy (Z)-ethyl 2-((E)-2-(2-(benzylamino)-1-cyano-2-oxoethylidene)-4-oxo-3-phenylthiazolidin-5-ylidene)acetate?
You can request a quote for (Z)-ethyl 2-((E)-2-(2-(benzylamino)-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-(benzylamino)-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-(benzylamino)-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.