(E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide
TL;DR: (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide (CAS 799809-89-5) is a chemical compound with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-cyano-2-[5-[(4-ethylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide
Also Known As: (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide, (2E)-2-cyano-2-[5-[(4-ethylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide
| Molecular Formula | C22H21N3O2S |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 3.42128 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.13544 |
| Heavy Atoms | 28 |
| Complexity | 945.9972 |
Chemical Identifiers
| CAS Number | 799809-89-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)CC2C(=O)N(/C(=C(/C#N)\C(=O)NC)/S2)C3=CC=CC=C3 |
Product Overview
(E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide (CAS 799809-89-5), with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol. IUPAC: (2E)-2-cyano-2-[5-[(4-ethylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide.
Chemical Property Profile of (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide
Property Insights of (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide
The XLogP value of 3.42128 indicates that (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide. Following Lipinski's Rule of Five, (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide has 1 hydrogen bond donor(s) and 4 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 (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide?
The CAS number of (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide is 799809-89-5.
What is the molecular formula of (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide?
The molecular formula of (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide is C22H21N3O2S.
What is the molecular weight of (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide?
The molecular weight of (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide is 391.14 g/mol.
Where can I buy (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide?
You can request a quote for (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-2-(5-(4-ethylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-N-methylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.