(Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate
TL;DR: (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate (CAS 307538-72-3) is a chemical compound with molecular formula C13H9ClFNO3S2 and molecular weight 344.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
Also Known As: (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate, methyl [(5Z)-5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetate, methyl 2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C13H9ClFNO3S2 |
|---|---|
| Molecular Weight | 344.97 g/mol |
| LogP | 2.8533 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.96964 |
| Heavy Atoms | 21 |
| Complexity | 642.5665 |
Chemical Identifiers
| CAS Number | 307538-72-3 |
|---|---|
| SMILES | COC(=O)CN1C(=O)/C(=C/C2=C(C=CC=C2Cl)F)/SC1=S |
Product Overview
(Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate (CAS 307538-72-3), with molecular formula C13H9ClFNO3S2 and molecular weight 344.97 g/mol. IUPAC: methyl 2-[(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetate.
Chemical Property Profile of (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate
Property Insights of (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate
The XLogP value of 2.8533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate. With a topological polar surface area (TPSA) of 46.61 Ų, (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate has 0 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 (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
The CAS number of (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate is 307538-72-3.
What is the molecular formula of (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
The molecular formula of (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate is C13H9ClFNO3S2.
What is the molecular weight of (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
The molecular weight of (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate is 344.97 g/mol.
Where can I buy (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
You can request a quote for (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-(5-(2-chloro-6-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.