![4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid structure](/static/products/1009/1009768-20-0.webp)
4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid
TL;DR: 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid (CAS 1009768-20-0) is a chemical compound with molecular formula C19H16N2O6S and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[(3-methoxycarbonylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
Also Known As: 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid, AT-057/42874295, 4-[[3-[(3-methoxycarbonylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic Acid, 4-((3-(3-(methoxycarbonyl)benzyl)-2,4-dioxothiazolidin-5-yl)amino)benzoic acid, 4-[(3-{[3-(methoxycarbonyl)phenyl]methyl}-2,4-dioxo-1,3-thiazolidin-5-yl)amino ]benzoic acid
| Molecular Formula | C19H16N2O6S |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 2.805 |
| Topological Polar Surface Area | 113.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.0729 |
| Heavy Atoms | 28 |
| Complexity | 943.69495 |
Chemical Identifiers
| CAS Number | 1009768-20-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)CN2C(=O)C(SC2=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid (CAS 1009768-20-0), with molecular formula C19H16N2O6S and molecular weight 400.07 g/mol. IUPAC: 4-[[3-[(3-methoxycarbonylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid.
Chemical Property Profile of 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid
Property Insights of 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid
The XLogP value of 2.805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid. The TPSA of 113.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid has 2 hydrogen bond donor(s) and 7 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-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid?
The CAS number of 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid is 1009768-20-0.
What is the molecular formula of 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid?
The molecular formula of 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid is C19H16N2O6S.
What is the molecular weight of 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid?
The molecular weight of 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid is 400.07 g/mol.
Where can I buy 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid?
You can request a quote for 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)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-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({3-[3-(methoxycarbonyl)benzyl]-2,4-dioxo-1,3-thiazolidin-5-yl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.