3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid
TL;DR: 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid (CAS 464902-41-8) is a chemical compound with molecular formula C19H13NO3S2 and molecular weight 367.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
Also Known As: 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid, 3-{(5E)-4-oxo-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxo-1,3-thiazolidin-3-yl}benzoic acid, 3-((E)-4-oxo-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-3-yl)benzoic acid, 3-[5-((2E)-3-phenylprop-2-enylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzo ic acid, 3-[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
| Molecular Formula | C19H13NO3S2 |
|---|---|
| Molecular Weight | 367.03 g/mol |
| LogP | 4.3468 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.0337 |
| Heavy Atoms | 25 |
| Complexity | 903.895 |
Chemical Identifiers
| CAS Number | 464902-41-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C=C/2\C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(=O)O |
Product Overview
3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid (CAS 464902-41-8), with molecular formula C19H13NO3S2 and molecular weight 367.03 g/mol. IUPAC: 3-[(5E)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid.
Chemical Property Profile of 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid
Property Insights of 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid
The XLogP value of 4.3468 indicates that 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic 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-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid?
The CAS number of 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid is 464902-41-8.
What is the molecular formula of 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid?
The molecular formula of 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid is C19H13NO3S2.
What is the molecular weight of 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid?
The molecular weight of 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid is 367.03 g/mol.
Where can I buy 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid?
You can request a quote for 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic 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-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-cinnamylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.