(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid
TL;DR: (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid (CAS 82159-06-6) is a chemical compound with molecular formula C12H9NO3S2 and molecular weight 279.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: Epalrestat Impurity 26, BAS 00262478, J2.417.821H, (5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid, (E)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
| Molecular Formula | C12H9NO3S2 |
|---|---|
| Molecular Weight | 279.00 g/mol |
| LogP | 1.9724 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.00238 |
| Heavy Atoms | 18 |
| Complexity | 539.5133 |
Chemical Identifiers
| CAS Number | 82159-06-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O |
Product Overview
(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid (CAS 82159-06-6), with molecular formula C12H9NO3S2 and molecular weight 279.00 g/mol. IUPAC: 2-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid
Property Insights of (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid
The XLogP value of 1.9724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid. With a topological polar surface area (TPSA) of 57.61 Ų, (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid has 1 hydrogen bond donor(s) and 4 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 (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid?
The CAS number of (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid is 82159-06-6.
What is the molecular formula of (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid?
The molecular formula of (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid is C12H9NO3S2.
What is the molecular weight of (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid?
The molecular weight of (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid is 279.00 g/mol.
Where can I buy (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid?
You can request a quote for (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.