![methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate structure](/static/products/1024/1024593-98-3.webp)
methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate
TL;DR: methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate (CAS 1024593-98-3) is a chemical compound with molecular formula C21H20N2O6S and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[5-(4-ethoxycarbonylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate
Also Known As: methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate, methyl 3-((5-((4-(ethoxycarbonyl)phenyl)amino)-2,4-dioxothiazolidin-3-yl)methyl)benzoate, methyl 3-[[5-(4-ethoxycarbonylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate, methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl) methyl]benzoate, Methyl 3-[[5-[(4-ethoxycarbonylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate
| Molecular Formula | C21H20N2O6S |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 3.2835 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.10422 |
| Heavy Atoms | 30 |
| Complexity | 975.7168 |
Chemical Identifiers
| CAS Number | 1024593-98-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)C(=O)OC |
Product Overview
methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate (CAS 1024593-98-3), with molecular formula C21H20N2O6S and molecular weight 428.10 g/mol. IUPAC: methyl 3-[[5-(4-ethoxycarbonylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate.
Chemical Property Profile of methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate
Property Insights of methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate
The XLogP value of 3.2835 indicates that methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate. Following Lipinski's Rule of Five, methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate has 1 hydrogen bond donor(s) and 8 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 methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate?
The CAS number of methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate is 1024593-98-3.
What is the molecular formula of methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate?
The molecular formula of methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate is C21H20N2O6S.
What is the molecular weight of methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate?
The molecular weight of methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate is 428.10 g/mol.
Where can I buy methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate?
You can request a quote for methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[(5-{[4-(ethoxycarbonyl)phenyl]amino}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.