![3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid structure](/static/products/4881/488121-80-8.webp)
3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid
TL;DR: 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid (CAS 488121-80-8) is a chemical compound with molecular formula C18H13NO4S and molecular weight 339.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
Also Known As: 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid, AT-057/40872502, 3-[[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid, (E)-3-((5-benzylidene-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid
| Molecular Formula | C18H13NO4S |
|---|---|
| Molecular Weight | 339.06 g/mol |
| LogP | 3.6213 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.05652 |
| Heavy Atoms | 24 |
| Complexity | 845.10706 |
Chemical Identifiers
| CAS Number | 488121-80-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CC3=CC(=CC=C3)C(=O)O |
Product Overview
3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid (CAS 488121-80-8), with molecular formula C18H13NO4S and molecular weight 339.06 g/mol. IUPAC: 3-[[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid.
Chemical Property Profile of 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid
Property Insights of 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid
The XLogP value of 3.6213 indicates that 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid. Following Lipinski's Rule of Five, 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid has 1 hydrogen bond donor(s) and 4 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-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid?
The CAS number of 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid is 488121-80-8.
What is the molecular formula of 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid?
The molecular formula of 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid is C18H13NO4S.
What is the molecular weight of 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid?
The molecular weight of 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid is 339.06 g/mol.
Where can I buy 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid?
You can request a quote for 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.