![{2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid structure](/static/products/914/91493-66-2.png)
{2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid
TL;DR: {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid (CAS 91493-66-2) is a chemical compound with molecular formula C12H9NO4S2 and molecular weight 295.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
Also Known As: {2-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid, J1.243.017E, AE-848/07317031, 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid, [2-(2-Thioxo-4-oxothiazolidine-5-ylidenemethyl)phenoxy]acetic acid
| Molecular Formula | C12H9NO4S2 |
|---|---|
| Molecular Weight | 295.00 g/mol |
| LogP | 1.6388 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.9973 |
| Heavy Atoms | 19 |
| Complexity | 582.84705 |
Chemical Identifiers
| CAS Number | 91493-66-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C\2/C(=O)NC(=S)S2)OCC(=O)O |
Product Overview
{2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid (CAS 91493-66-2), with molecular formula C12H9NO4S2 and molecular weight 295.00 g/mol. IUPAC: 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid
Property Insights of {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid
The XLogP value of 1.6388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid. Following Lipinski's Rule of Five, {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic 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 {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid?
The CAS number of {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid is 91493-66-2.
What is the molecular formula of {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid?
The molecular formula of {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid is C12H9NO4S2.
What is the molecular weight of {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid?
The molecular weight of {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid is 295.00 g/mol.
Where can I buy {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid?
You can request a quote for {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {2-[(4-Oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.