(E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
TL;DR: (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (CAS 6105-93-7) is a chemical compound with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: Reserpiline, monopicrate, BAS 00634484, (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, F1103-0017, 3-[(5E)-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C16H17NO3S2 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 3.4859 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.06497 |
| Heavy Atoms | 22 |
| Complexity | 635.29596 |
Chemical Identifiers
| CAS Number | 6105-93-7 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O |
Product Overview
(E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (CAS 6105-93-7), with molecular formula C16H17NO3S2 and molecular weight 335.06 g/mol. IUPAC: 3-[(5E)-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
Property Insights of (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
The XLogP value of 3.4859 indicates that (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic 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, (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-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 (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The CAS number of (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is 6105-93-7.
What is the molecular formula of (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The molecular formula of (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is C16H17NO3S2.
What is the molecular weight of (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The molecular weight of (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is 335.06 g/mol.
Where can I buy (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
You can request a quote for (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-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 (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(5-(4-isopropylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.