(Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate
TL;DR: (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate (CAS 577989-87-8) is a chemical compound with molecular formula C29H25N3O4S and molecular weight 511.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(2Z)-2-(2-anilino-1-cyano-2-oxoethylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate
Also Known As: (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate, ethyl 4-({2-[cyano(N-phenylcarbamoyl)methylene]-3-(2-methylphenyl)-4-oxo-1,3-t hiazolidin-5-yl}methyl)benzoate, ethyl 4-[[(2Z)-2-(2-anilino-1-cyano-2-oxoethylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate, ethyl 4-{[(2Z)-2-[1-cyano-2-oxo-2-(phenylamino)ethylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]methyl}benzoate
| Molecular Formula | C29H25N3O4S |
|---|---|
| Molecular Weight | 511.16 g/mol |
| LogP | 5.2367 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 511.1566 |
| Heavy Atoms | 37 |
| Complexity | 1394.654 |
Chemical Identifiers
| CAS Number | 577989-87-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)CC2C(=O)N(/C(=C(\C#N)/C(=O)NC3=CC=CC=C3)/S2)C4=CC=CC=C4C |
Product Overview
(Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate (CAS 577989-87-8), with molecular formula C29H25N3O4S and molecular weight 511.16 g/mol. IUPAC: ethyl 4-[[(2Z)-2-(2-anilino-1-cyano-2-oxoethylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate.
Chemical Property Profile of (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate
Property Insights of (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate
The XLogP value of 5.2367 indicates that (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate. Following Lipinski's Rule of Five, (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate?
The CAS number of (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate is 577989-87-8.
What is the molecular formula of (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate?
The molecular formula of (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate is C29H25N3O4S.
What is the molecular weight of (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate?
The molecular weight of (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate is 511.16 g/mol.
Where can I buy (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate?
You can request a quote for (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 4-((2-(1-cyano-2-oxo-2-(phenylamino)ethylidene)-4-oxo-3-(o-tolyl)thiazolidin-5-yl)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.