![3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid structure](/static/products/1008/1008189-08-9.webp)
3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid
TL;DR: 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid (CAS 1008189-08-9) is a chemical compound with molecular formula C20H19N3O5S and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(N-(2-amino-2-oxoethyl)-3-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
Also Known As: 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid, AP-893/40872498, 3-[[5-(N-(2-amino-2-oxoethyl)-3-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid, 3-((5-((2-amino-2-oxoethyl)(m-tolyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoic acid, 3-({5-[(2-amino-2-oxoethyl)-3-methylanilino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid
| Molecular Formula | C20H19N3O5S |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 2.20662 |
| Topological Polar Surface Area | 121.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.10455 |
| Heavy Atoms | 29 |
| Complexity | 993.5869 |
Chemical Identifiers
| CAS Number | 1008189-08-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N(CC(=O)N)C2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)C(=O)O |
Product Overview
3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid (CAS 1008189-08-9), with molecular formula C20H19N3O5S and molecular weight 413.10 g/mol. IUPAC: 3-[[5-(N-(2-amino-2-oxoethyl)-3-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid.
Chemical Property Profile of 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid
Property Insights of 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid
The XLogP value of 2.20662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid. The TPSA of 121.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid. Following Lipinski's Rule of Five, 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-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-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid?
The CAS number of 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid is 1008189-08-9.
What is the molecular formula of 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid?
The molecular formula of 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid is C20H19N3O5S.
What is the molecular weight of 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid?
The molecular weight of 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid is 413.10 g/mol.
Where can I buy 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid?
You can request a quote for 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-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-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({5-[(2-amino-2-oxoethyl)(3-methylphenyl)amino]-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.