![4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid structure](/static/products/2920/292057-68-2.webp)
4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
TL;DR: 4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid (CAS 292057-68-2) is a chemical compound with molecular formula C18H12N2O4S2 and molecular weight 384.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-(3-benzamido-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Also Known As: 4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid, 4-[(Z)-(3-benzamido-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid, (Z)-4-((3-benzamido-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzoic acid, 4-[(Z)-{4-oxo-3-[(phenylcarbonyl)amino]-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]benzoic acid, 4-{(Z)-[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
| Molecular Formula | C18H12N2O4S2 |
|---|---|
| Molecular Weight | 384.02 g/mol |
| LogP | 2.931 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.02383 |
| Heavy Atoms | 26 |
| Complexity | 923.9671 |
Chemical Identifiers
| CAS Number | 292057-68-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NN2C(=O)/C(=C/C3=CC=C(C=C3)C(=O)O)/SC2=S |
Product Overview
4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid (CAS 292057-68-2), with molecular formula C18H12N2O4S2 and molecular weight 384.02 g/mol. IUPAC: 4-[(Z)-(3-benzamido-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid.
Chemical Property Profile of 4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Property Insights of 4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
The XLogP value of 2.931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid has 2 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-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid?
The CAS number of 4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid is 292057-68-2.
What is the molecular formula of 4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid?
The molecular formula of 4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid is C18H12N2O4S2.
What is the molecular weight of 4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid?
The molecular weight of 4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid is 384.02 g/mol.
Where can I buy 4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid?
You can request a quote for 4-{[3-(benzoylamino)-4-oxo-2-thioxo-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-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-(benzoylamino)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.