![3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide structure](/static/products/902/902016-28-8.png)
3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide
TL;DR: 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide (CAS 902016-28-8) is a chemical compound with molecular formula C18H17FN4O2S2 and molecular weight 404.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
Also Known As: 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide, (Z)-N-(2-(1H-imidazol-4-yl)ethyl)-3-(5-(3-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamide, 3-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
| Molecular Formula | C18H17FN4O2S2 |
|---|---|
| Molecular Weight | 404.08 g/mol |
| LogP | 2.499 |
| Topological Polar Surface Area | 78.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.0777 |
| Heavy Atoms | 27 |
| Complexity | 883.2466 |
Chemical Identifiers
| CAS Number | 902016-28-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)NCCC3=CN=CN3 |
Product Overview
3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide (CAS 902016-28-8), with molecular formula C18H17FN4O2S2 and molecular weight 404.08 g/mol. IUPAC: 3-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.
Chemical Property Profile of 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide
Property Insights of 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide
The XLogP value of 2.499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide. The TPSA of 78.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide. Following Lipinski's Rule of Five, 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide has 2 hydrogen bond donor(s) and 5 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-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide?
The CAS number of 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide is 902016-28-8.
What is the molecular formula of 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide?
The molecular formula of 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide is C18H17FN4O2S2.
What is the molecular weight of 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide?
The molecular weight of 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide is 404.08 g/mol.
Where can I buy 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide?
You can request a quote for 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-{5-[(3-fluorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(2-im idazol-4-ylethyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.