![2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide structure](/static/products/6853/6853-77-6.webp)
2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
TL;DR: 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CAS 6853-77-6) is a chemical compound with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
Also Known As: 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide, 2-Cyano-2-{3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene}acetamide
| Molecular Formula | C20H16N4O4S |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 2.8148 |
| Topological Polar Surface Area | 130.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.08923 |
| Heavy Atoms | 29 |
| Complexity | 1072.6339 |
Chemical Identifiers
| CAS Number | 6853-77-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C(SC2=C(C#N)C(=O)N)CC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide (CAS 6853-77-6), with molecular formula C20H16N4O4S and molecular weight 408.09 g/mol. IUPAC: 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide.
Chemical Property Profile of 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
Property Insights of 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
The XLogP value of 2.8148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide. The TPSA of 130.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide. Following Lipinski's Rule of Five, 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide has 1 hydrogen bond donor(s) and 6 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 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The CAS number of 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is 6853-77-6.
What is the molecular formula of 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The molecular formula of 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is C20H16N4O4S.
What is the molecular weight of 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
The molecular weight of 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is 408.09 g/mol.
Where can I buy 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
You can request a quote for 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-2-[3-(4-methylphenyl)-5-[(2-nitrophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.