4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid
TL;DR: 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid (CAS 1009716-77-1) is a chemical compound with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-(4-methoxyanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
Also Known As: BAS 10416999, AT-057/43208223, 4-((5-((4-methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid, 4-[[5-(4-methoxyanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid, F1955-0015
| Molecular Formula | C18H16N2O5S |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 3.027 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.078 |
| Heavy Atoms | 26 |
| Complexity | 835.6649 |
Chemical Identifiers
| CAS Number | 1009716-77-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C(=O)O |
Product Overview
4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid (CAS 1009716-77-1), with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol. IUPAC: 4-[[5-(4-methoxyanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid.
Chemical Property Profile of 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid
Property Insights of 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid
The XLogP value of 3.027 indicates that 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid. Following Lipinski's Rule of Five, 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-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 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid?
The CAS number of 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid is 1009716-77-1.
What is the molecular formula of 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid?
The molecular formula of 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid is C18H16N2O5S.
What is the molecular weight of 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid?
The molecular weight of 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid is 372.08 g/mol.
Where can I buy 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid?
You can request a quote for 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-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 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((5-((4-Methoxyphenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.