![3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid structure](/static/products/4337/433702-28-4.webp)
3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid
TL;DR: 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid (CAS 433702-28-4) is a chemical compound with molecular formula C18H13NO6S2 and molecular weight 403.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[(E)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-methylbenzoic acid
Also Known As: 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid, (E)-3-(5-((3-(carboxymethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)furan-2-yl)-2-methylbenzoic acid, 3-[5-[(E)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-methylbenzoic acid
| Molecular Formula | C18H13NO6S2 |
|---|---|
| Molecular Weight | 403.02 g/mol |
| LogP | 3.23902 |
| Topological Polar Surface Area | 108.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.01843 |
| Heavy Atoms | 27 |
| Complexity | 1007.0308 |
Chemical Identifiers
| CAS Number | 433702-28-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O |
Product Overview
3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid (CAS 433702-28-4), with molecular formula C18H13NO6S2 and molecular weight 403.02 g/mol. IUPAC: 3-[5-[(E)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-methylbenzoic acid.
Chemical Property Profile of 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid
Property Insights of 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid
The XLogP value of 3.23902 indicates that 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid has 2 hydrogen bond donor(s) and 6 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 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid?
The CAS number of 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid is 433702-28-4.
What is the molecular formula of 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid?
The molecular formula of 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid is C18H13NO6S2.
What is the molecular weight of 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid?
The molecular weight of 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid is 403.02 g/mol.
Where can I buy 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid?
You can request a quote for 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-{(E)-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.