(E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid
TL;DR: (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid (CAS 431930-80-2) is a chemical compound with molecular formula C26H22N2O6S and molecular weight 490.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid
Also Known As: (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid, 4-(5-{[(5E)-3-{[(3,4-DIMETHYLPHENYL)CARBAMOYL]METHYL}-2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}FURAN-2-YL)-3-METHYLBENZOIC ACID, 4-[5-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid, 4-{5-[(3-{[N-(3,4-dimethylphenyl)carbamoyl]methyl}-2,4-dioxo(1,3-thiazolidin-5 -ylidene))methyl](2-furyl)}-3-methylbenzoic acid, 4-{5-[(E)-(3-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-3-methylbenzoic acid
| Molecular Formula | C26H22N2O6S |
|---|---|
| Molecular Weight | 490.12 g/mol |
| LogP | 5.24506 |
| Topological Polar Surface Area | 116.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.11984 |
| Heavy Atoms | 35 |
| Complexity | 1404.5735 |
Chemical Identifiers
| CAS Number | 431930-80-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=C(O3)C4=C(C=C(C=C4)C(=O)O)C)/SC2=O)C |
Product Overview
(E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid (CAS 431930-80-2), with molecular formula C26H22N2O6S and molecular weight 490.12 g/mol. IUPAC: 4-[5-[(E)-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid.
Chemical Property Profile of (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid
Property Insights of (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid
The XLogP value of 5.24506 indicates that (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid. Following Lipinski's Rule of Five, (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid?
The CAS number of (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid is 431930-80-2.
What is the molecular formula of (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid?
The molecular formula of (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid is C26H22N2O6S.
What is the molecular weight of (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid?
The molecular weight of (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid is 490.12 g/mol.
Where can I buy (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid?
You can request a quote for (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(5-((3-(2-((3,4-dimethylphenyl)amino)-2-oxoethyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-3-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.