![N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide structure](/static/products/902/902030-69-7.png)
N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
TL;DR: N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide (CAS 902030-69-7) is a chemical compound with molecular formula C20H15FN4O3S2 and molecular weight 442.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
Also Known As: N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide, (Z)-N-(benzo[c][1,2,5]oxadiazol-4-yl)-4-(5-(4-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide, N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide, N-benzo[c]1,2,5-oxadiazol-4-yl-4-{5-[(4-fluorophenyl)methylene]-4-oxo-2-thioxo (1,3-thiazolidin-3-yl)}butanamide
| Molecular Formula | C20H15FN4O3S2 |
|---|---|
| Molecular Weight | 442.06 g/mol |
| LogP | 3.982 |
| Topological Polar Surface Area | 88.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.05695 |
| Heavy Atoms | 30 |
| Complexity | 1160.3278 |
Chemical Identifiers
| CAS Number | 902030-69-7 |
|---|---|
| SMILES | C1=CC2=NON=C2C(=C1)NC(=O)CCCN3C(=O)/C(=C/C4=CC=C(C=C4)F)/SC3=S |
Product Overview
N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide (CAS 902030-69-7), with molecular formula C20H15FN4O3S2 and molecular weight 442.06 g/mol. IUPAC: N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
Chemical Property Profile of N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
Property Insights of N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
The XLogP value of 3.982 indicates that N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide. Following Lipinski's Rule of Five, N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide has 1 hydrogen bond donor(s) and 7 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 N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
The CAS number of N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide is 902030-69-7.
What is the molecular formula of N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
The molecular formula of N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide is C20H15FN4O3S2.
What is the molecular weight of N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
The molecular weight of N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide is 442.06 g/mol.
Where can I buy N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
You can request a quote for N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,1,3-benzoxadiazol-4-yl)-4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.