![[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate structure](/static/products/5541/5541-16-2.webp)
[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate
TL;DR: [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate (CAS 5541-16-2) is a chemical compound with molecular formula C17H11NO4S and molecular weight 325.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate
Also Known As: BAS 00478347, AB00088141-01, [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate, Benzoic acid 4-(2,4-dioxo-thiazolidin-5-ylidenemethyl)-phenyl ester, 4-[(E)-(2,4-Dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzoate
| Molecular Formula | C17H11NO4S |
|---|---|
| Molecular Weight | 325.04 g/mol |
| LogP | 3.2297 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.0409 |
| Heavy Atoms | 23 |
| Complexity | 797.1029 |
Chemical Identifiers
| CAS Number | 5541-16-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C/3\C(=O)NC(=O)S3 |
Product Overview
[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate (CAS 5541-16-2), with molecular formula C17H11NO4S and molecular weight 325.04 g/mol. IUPAC: [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate.
Chemical Property Profile of [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate
Property Insights of [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate
The XLogP value of 3.2297 indicates that [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate. Following Lipinski's Rule of Five, [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate has 1 hydrogen bond donor(s) and 5 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)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate?
The CAS number of [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate is 5541-16-2.
What is the molecular formula of [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate?
The molecular formula of [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate is C17H11NO4S.
What is the molecular weight of [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate?
The molecular weight of [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate is 325.04 g/mol.
Where can I buy [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate?
You can request a quote for [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.