![3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid structure](/static/products/3922/392252-40-3.webp)
3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
TL;DR: 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid (CAS 392252-40-3) is a chemical compound with molecular formula C15H14N2O5S2 and molecular weight 366.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, AF-399/12151008, F0393-0634, (Z)-3-methyl-2-(5-(2-nitrobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 2-(5-{2-nitrobenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-3-methylbutanoic acid
| Molecular Formula | C15H14N2O5S2 |
|---|---|
| Molecular Weight | 366.03 g/mol |
| LogP | 2.9052 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.03442 |
| Heavy Atoms | 24 |
| Complexity | 759.9862 |
Chemical Identifiers
| CAS Number | 392252-40-3 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)/C(=C/C2=CC=CC=C2[N+](=O)[O-])/SC1=S |
Product Overview
3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid (CAS 392252-40-3), with molecular formula C15H14N2O5S2 and molecular weight 366.03 g/mol. IUPAC: 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Property Insights of 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
The XLogP value of 2.9052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid. Following Lipinski's Rule of Five, 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid 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 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid?
The CAS number of 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid is 392252-40-3.
What is the molecular formula of 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid?
The molecular formula of 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid is C15H14N2O5S2.
What is the molecular weight of 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid?
The molecular weight of 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid is 366.03 g/mol.
Where can I buy 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid?
You can request a quote for 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-2-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.