![4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid structure](/static/products/6922/692276-81-6.webp)
4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
TL;DR: 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid (CAS 692276-81-6) is a chemical compound with molecular formula C13H11NO4S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Also Known As: 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid, (E)-4-((3-ethyl-2,4-dioxothiazolidin-5-ylidene)methyl)benzoic acid, 4-[(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic Acid
| Molecular Formula | C13H11NO4S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 2.441 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0409 |
| Heavy Atoms | 19 |
| Complexity | 576.8109 |
Chemical Identifiers
| CAS Number | 692276-81-6 |
|---|---|
| SMILES | CCN1C(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/SC1=O |
Product Overview
4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid (CAS 692276-81-6), with molecular formula C13H11NO4S and molecular weight 277.04 g/mol. IUPAC: 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid.
Chemical Property Profile of 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Property Insights of 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
The XLogP value of 2.441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid has 1 hydrogen bond donor(s) and 4 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-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
The CAS number of 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid is 692276-81-6.
What is the molecular formula of 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
The molecular formula of 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid is C13H11NO4S.
What is the molecular weight of 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
The molecular weight of 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid is 277.04 g/mol.
Where can I buy 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
You can request a quote for 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)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 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.