3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid
TL;DR: 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid (CAS 1266675-59-5) 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.
3-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: BAS 00472441, 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid, 3-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-[(5E)-4-OXO-5-(PHENYLMETHYLIDENE)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANOIC ACID
| Molecular Formula | C13H11NO3S2 |
|---|---|
| Molecular Weight | 293.02 g/mol |
| LogP | 2.3625 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.01804 |
| Heavy Atoms | 19 |
| Complexity | 554.2666 |
Chemical Identifiers
| CAS Number | 1266675-59-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O |
Product Overview
3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid (CAS 1266675-59-5), with molecular formula C13H11NO3S2 and molecular weight 293.02 g/mol. IUPAC: 3-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid
Property Insights of 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid
The XLogP value of 2.3625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic 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 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid?
The CAS number of 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid is 1266675-59-5.
What is the molecular formula of 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid?
The molecular formula of 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid is C13H11NO3S2.
What is the molecular weight of 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid?
The molecular weight of 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid is 293.02 g/mol.
Where can I buy 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid?
You can request a quote for 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic 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-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.