![3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone structure](/static/products/6922/692281-54-2.webp)
3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone
TL;DR: 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone (CAS 692281-54-2) is a chemical compound with molecular formula C17H9FN2O5S2 and molecular weight 403.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone, 3-(2-fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-(2-Fluorophenyl)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C17H9FN2O5S2 |
|---|---|
| Molecular Weight | 403.99 g/mol |
| LogP | 3.8684 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.99368 |
| Heavy Atoms | 27 |
| Complexity | 1039.979 |
Chemical Identifiers
| CAS Number | 692281-54-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)N(C(=S)S3)C4=CC=CC=C4F)[N+](=O)[O-] |
Product Overview
3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone (CAS 692281-54-2), with molecular formula C17H9FN2O5S2 and molecular weight 403.99 g/mol. IUPAC: 3-(2-fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone
Property Insights of 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone
The XLogP value of 3.8684 indicates that 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone. Following Lipinski's Rule of Five, 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone has 0 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 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone?
The CAS number of 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone is 692281-54-2.
What is the molecular formula of 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone?
The molecular formula of 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone is C17H9FN2O5S2.
What is the molecular weight of 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone?
The molecular weight of 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone is 403.99 g/mol.
Where can I buy 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone?
You can request a quote for 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Fluorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-4-thiazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.