![N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide structure](/static/products/6613/6613-37-2.webp)
N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
TL;DR: N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide (CAS 6613-37-2) is a chemical compound with molecular formula C21H18ClFN2O2S2 and molecular weight 448.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
Also Known As: N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide, N-(3-chloro-4-fluorophenyl)-4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide, N-(3-chloro-4-fluorophenyl)-4-{5-[(4-methylphenyl)methylene]-4-oxo-2-thioxo(1, 3-thiazolidin-3-yl)}butanamide
| Molecular Formula | C21H18ClFN2O2S2 |
|---|---|
| Molecular Weight | 448.05 g/mol |
| LogP | 5.40762 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.04822 |
| Heavy Atoms | 29 |
| Complexity | 992.67566 |
Chemical Identifiers
| CAS Number | 6613-37-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=C(C=C3)F)Cl |
Product Overview
N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide (CAS 6613-37-2), with molecular formula C21H18ClFN2O2S2 and molecular weight 448.05 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
Property Insights of N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide
The XLogP value of 5.40762 indicates that N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide is 6613-37-2.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide is C21H18ClFN2O2S2.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide is 448.05 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-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-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.