(Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate
TL;DR: (Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate (CAS 488103-55-5) is a chemical compound with molecular formula C28H22ClN3O4S and molecular weight 531.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]benzoate
Also Known As: (Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate, ethyl 4-({(2Z)-2-[5-(2-chlorobenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl}amino)benzoate, ethyl 4-(2-{5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl(1,3-thiazolidin-2-yliden e)}-2-cyanoacetylamino)benzoate, ethyl 4-[[(2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]benzoate
| Molecular Formula | C28H22ClN3O4S |
|---|---|
| Molecular Weight | 531.10 g/mol |
| LogP | 5.58168 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 531.1019 |
| Heavy Atoms | 37 |
| Complexity | 1400.9296 |
Chemical Identifiers
| CAS Number | 488103-55-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\2/N(C(=O)C(S2)CC3=CC=CC=C3Cl)C4=CC=CC=C4)/C#N |
Product Overview
(Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate (CAS 488103-55-5), with molecular formula C28H22ClN3O4S and molecular weight 531.10 g/mol. IUPAC: ethyl 4-[[(2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetyl]amino]benzoate.
Chemical Property Profile of (Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate
Property Insights of (Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate
The XLogP value of 5.58168 indicates that (Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)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-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate. Following Lipinski's Rule of Five, (Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)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-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate?
The CAS number of (Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate is 488103-55-5.
What is the molecular formula of (Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate?
The molecular formula of (Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate is C28H22ClN3O4S.
What is the molecular weight of (Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate?
The molecular weight of (Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate is 531.10 g/mol.
Where can I buy (Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate?
You can request a quote for (Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)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-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 4-(2-(5-(2-chlorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-2-cyanoacetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.