![4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide structure](/static/products/902/902040-18-0.png)
4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide
TL;DR: 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide (CAS 902040-18-0) is a chemical compound with molecular formula C20H21ClN4O2S2 and molecular weight 448.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-imidazol-1-ylpropyl)butanamide
Also Known As: 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide, (Z)-N-(3-(1H-imidazol-1-yl)propyl)-4-(5-(2-chlorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide, 4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-imidazol-1-ylpropyl)butanamide, 4-{5-[(2-chlorophenyl)methylene]-4-oxo-2-thioxo(1,3-thiazolidin-3-yl)}-N-(3-im idazolylpropyl)butanamide
| Molecular Formula | C20H21ClN4O2S2 |
|---|---|
| Molecular Weight | 448.08 g/mol |
| LogP | 3.7244 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.07944 |
| Heavy Atoms | 29 |
| Complexity | 914.96484 |
Chemical Identifiers
| CAS Number | 902040-18-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NCCCN3C=CN=C3)Cl |
Product Overview
4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide (CAS 902040-18-0), with molecular formula C20H21ClN4O2S2 and molecular weight 448.08 g/mol. IUPAC: 4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-imidazol-1-ylpropyl)butanamide.
Chemical Property Profile of 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide
Property Insights of 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide
The XLogP value of 3.7244 indicates that 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide. Following Lipinski's Rule of Five, 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide has 1 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 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide?
The CAS number of 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide is 902040-18-0.
What is the molecular formula of 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide?
The molecular formula of 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide is C20H21ClN4O2S2.
What is the molecular weight of 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide?
The molecular weight of 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide is 448.08 g/mol.
Where can I buy 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide?
You can request a quote for 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(1H-imidazol-1-yl)propyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.