![2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid structure](/static/products/4337/433702-20-6.webp)
2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid
TL;DR: 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid (CAS 433702-20-6) is a chemical compound with molecular formula C23H14F3NO4S2 and molecular weight 489.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-[5-[(E)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
Also Known As: 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid, (E)-2-methyl-3-(5-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-5-ylidene)methyl)furan-2-yl)benzoic acid, 2-methyl-3-[5-({4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl](1,3-thiazolidin-5 -ylidene)}methyl)(2-furyl)]benzoic acid, 2-methyl-3-[5-[(E)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
| Molecular Formula | C23H14F3NO4S2 |
|---|---|
| Molecular Weight | 489.03 g/mol |
| LogP | 6.37782 |
| Topological Polar Surface Area | 70.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.03165 |
| Heavy Atoms | 33 |
| Complexity | 1327.2358 |
Chemical Identifiers
| CAS Number | 433702-20-6 |
|---|---|
| SMILES | CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid (CAS 433702-20-6), with molecular formula C23H14F3NO4S2 and molecular weight 489.03 g/mol. IUPAC: 2-methyl-3-[5-[(E)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid
Property Insights of 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid
The XLogP value of 6.37782 indicates that 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid. Following Lipinski's Rule of Five, 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid 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 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid?
The CAS number of 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid is 433702-20-6.
What is the molecular formula of 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid?
The molecular formula of 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid is C23H14F3NO4S2.
What is the molecular weight of 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid?
The molecular weight of 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid is 489.03 g/mol.
Where can I buy 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid?
You can request a quote for 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-{5-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.