![methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate structure](/static/products/692/692270-57-8.png)
methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
TL;DR: methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate (CAS 692270-57-8) is a chemical compound with molecular formula C23H22N2O6S and molecular weight 454.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5E)-5-[[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Also Known As: methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate, (E)-methyl 2-(2,4-dioxo-5-(2-(2-oxo-2-(p-tolylamino)ethoxy)benzylidene)thiazolidin-3-yl)propanoate, methyl 2-[(5E)-5-[[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C23H22N2O6S |
|---|---|
| Molecular Weight | 454.12 g/mol |
| LogP | 3.61032 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.11984 |
| Heavy Atoms | 32 |
| Complexity | 1080.1492 |
Chemical Identifiers
| CAS Number | 692270-57-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2/C=C/3\C(=O)N(C(=O)S3)C(C)C(=O)OC |
Product Overview
methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate (CAS 692270-57-8), with molecular formula C23H22N2O6S and molecular weight 454.12 g/mol. IUPAC: methyl 2-[(5E)-5-[[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate.
Chemical Property Profile of methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Property Insights of methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
The XLogP value of 3.61032 indicates that methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate 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 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate. Following Lipinski's Rule of Five, methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate has 1 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 methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The CAS number of methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is 692270-57-8.
What is the molecular formula of methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The molecular formula of methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is C23H22N2O6S.
What is the molecular weight of methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
The molecular weight of methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate is 454.12 g/mol.
Where can I buy methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
You can request a quote for methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(5E)-5-(2-{2-[(4-methylphenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.