![3-[[5-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid structure](/static/products/4960/496019-76-2.webp)
3-[[5-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
TL;DR: 3-[[5-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid (CAS 496019-76-2) is a chemical compound with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(4-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
Also Known As: AP-893/40872484, 3-[[5-(4-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid, 3-((2,4-dioxo-5-(p-tolylamino)thiazolidin-3-yl)methyl)benzoic acid, 3-[[2,4-diketo-5-(p-toluidino)thiazolidin-3-yl]methyl]benzoic acid, 3-[[5-(4-methylanilino)-2,4-dioxo-3-thiazolidinyl]methyl]benzoic acid
| Molecular Formula | C18H16N2O4S |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.08307 |
| Heavy Atoms | 25 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 496019-76-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)C(=O)O |
| InChIKey | ZKZVDUCXMUNQAC-UHFFFAOYSA-N |
Product Overview
3-[[5-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid (CAS 496019-76-2), with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol. IUPAC: 3-[[5-(4-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid.
Chemical Property Profile of 3-[[5-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
Property Insights of 3-[[5-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
The XLogP value of 3.4 indicates that 3-[[5-(4-Methylanilino)-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 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[5-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid. Following Lipinski's Rule of Five, 3-[[5-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid has 2 hydrogen bond donor(s) and 6 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-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid?
The CAS number of 3-[[5-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid is 496019-76-2.
What is the molecular formula of 3-[[5-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid?
The molecular formula of 3-[[5-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid is C18H16N2O4S.
What is the molecular weight of 3-[[5-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid?
The molecular weight of 3-[[5-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid is 356.08 g/mol.
Where can I buy 3-[[5-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid?
You can request a quote for 3-[[5-(4-Methylanilino)-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-(4-Methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[5-(4-Methylanilino)-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.