(2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide
TL;DR: (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide (CAS 577695-88-6) 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.
(2Z)-2-cyano-2-[(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)acetamide
Also Known As: (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide, (2Z)-2-cyano-2-[(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)acetamide, (Z)-2-cyano-2-((E)-5-(2,3-dimethoxybenzylidene)-4-oxo-3-(o-tolyl)thiazolidin-2-ylidene)-N-(o-tolyl)acetamide, 2-{5-[(2,3-dimethoxyphenyl)methylene]-3-(2-methylphenyl)-4-oxo(1,3-thiazolidin -2-ylidene)}-2-cyano-N-(2-methylphenyl)acetamide
| Molecular Formula | C29H25N3O4S |
|---|---|
| Molecular Weight | 511.16 g/mol |
| LogP | 3.67482 |
| Topological Polar Surface Area | 93.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.1566 |
| Heavy Atoms | 37 |
| Complexity | 1710.1473 |
Chemical Identifiers
| CAS Number | 577695-88-6 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)/C(=C\2/N(C(=O)/C(=C\C3=C(C(=CC=C3)OC)OC)/S2)C4=CC=CC=C4C)/C#N |
Product Overview
(2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide (CAS 577695-88-6), with molecular formula C29H25N3O4S and molecular weight 511.16 g/mol. IUPAC: (2Z)-2-cyano-2-[(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide
Property Insights of (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide
The XLogP value of 3.67482 indicates that (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide. Following Lipinski's Rule of Five, (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide 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 (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide?
The CAS number of (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide is 577695-88-6.
What is the molecular formula of (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide?
The molecular formula of (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide is C29H25N3O4S.
What is the molecular weight of (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide?
The molecular weight of (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide is 511.16 g/mol.
Where can I buy (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide?
You can request a quote for (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-cyano-2-[(5E)-5-(2,3-dimethoxybenzylidene)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)ethanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.