![4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide structure](/static/products/612/612803-01-7.png)
4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
TL;DR: 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide (CAS 612803-01-7) is a chemical compound with molecular formula C25H27FN2O3S2 and molecular weight 486.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide, (Z)-4-fluoro-N-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide, (4-fluorophenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide, 4-fluoro-N-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide, 4-fluoro-N-[5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
| Molecular Formula | C25H27FN2O3S2 |
|---|---|
| Molecular Weight | 486.14 g/mol |
| LogP | 6.1112 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 486.1447 |
| Heavy Atoms | 33 |
| Complexity | 1007.317 |
Chemical Identifiers
| CAS Number | 612803-01-7 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)F |
Product Overview
4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide (CAS 612803-01-7), with molecular formula C25H27FN2O3S2 and molecular weight 486.14 g/mol. IUPAC: 4-fluoro-N-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Property Insights of 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
The XLogP value of 6.1112 indicates that 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide?
The CAS number of 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide is 612803-01-7.
What is the molecular formula of 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide?
The molecular formula of 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide is C25H27FN2O3S2.
What is the molecular weight of 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide?
The molecular weight of 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide is 486.14 g/mol.
Where can I buy 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide?
You can request a quote for 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-fluoro-N-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.