![4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid structure](/static/products/1474/1474053-20-7.webp)
4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
TL;DR: 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid (CAS 1474053-20-7) is a chemical compound with molecular formula C13H11NO3S2 and molecular weight 293.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Also Known As: 4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid, 4-[(3-ethyl-4-oxo-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzenecarboxylic acid, 4-((4-ETHYL-5-OXO-3-THIOXO-2,4-THIAZOLIDINYLIDENE)METHYL)BENZOIC ACID, 4-{[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
| Molecular Formula | C13H11NO3S2 |
|---|---|
| Molecular Weight | 293.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.01804 |
| Heavy Atoms | 19 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 1474053-20-7 |
|---|---|
| SMILES | CCN1C(=O)C(=CC2=CC=C(C=C2)C(=O)O)SC1=S |
| InChIKey | CEETYXVJXDXKBT-UHFFFAOYSA-N |
Product Overview
4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid (CAS 1474053-20-7), with molecular formula C13H11NO3S2 and molecular weight 293.02 g/mol. IUPAC: 4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid.
Chemical Property Profile of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Property Insights of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid 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-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
The CAS number of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid is 1474053-20-7.
What is the molecular formula of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
The molecular formula of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid is C13H11NO3S2.
What is the molecular weight of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
The molecular weight of 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid is 293.02 g/mol.
Where can I buy 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
You can request a quote for 4-[(3-Ethyl-4-oxo-2-sulfanylidene-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-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.