(Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate
TL;DR: (Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate (CAS 487036-38-4) is a chemical compound with molecular formula C28H22FN3O4S and molecular weight 515.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetyl]amino]benzoate
Also Known As: (Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate, ethyl 4-({(2Z)-2-cyano-2-[5-(4-fluorobenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetyl}amino)benzoate, ethyl 4-(2-cyano-2-{5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl(1,3-thiazolidin- 2-ylidene)}acetylamino)benzoate, ethyl 4-[[(2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetyl]amino]benzoate
| Molecular Formula | C28H22FN3O4S |
|---|---|
| Molecular Weight | 515.13 g/mol |
| LogP | 5.06738 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.13153 |
| Heavy Atoms | 37 |
| Complexity | 1383.6796 |
Chemical Identifiers
| CAS Number | 487036-38-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\2/N(C(=O)C(S2)CC3=CC=C(C=C3)F)C4=CC=CC=C4)/C#N |
Product Overview
(Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate (CAS 487036-38-4), with molecular formula C28H22FN3O4S and molecular weight 515.13 g/mol. IUPAC: ethyl 4-[[(2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetyl]amino]benzoate.
Chemical Property Profile of (Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate
Property Insights of (Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate
The XLogP value of 5.06738 indicates that (Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)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-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate. Following Lipinski's Rule of Five, (Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)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-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate?
The CAS number of (Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate is 487036-38-4.
What is the molecular formula of (Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate?
The molecular formula of (Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate is C28H22FN3O4S.
What is the molecular weight of (Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate?
The molecular weight of (Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate is 515.13 g/mol.
Where can I buy (Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate?
You can request a quote for (Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)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-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 4-(2-cyano-2-(5-(4-fluorobenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.