(E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
TL;DR: (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (CAS 692274-14-9) is a chemical compound with molecular formula C17H18BrNO4S2 and molecular weight 442.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-5-[(5-bromo-2-butoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-[(5E)-5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid, 3-[(5E)-5-[(5-bromo-2-butoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C17H18BrNO4S2 |
|---|---|
| Molecular Weight | 442.99 g/mol |
| LogP | 4.3039 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.98605 |
| Heavy Atoms | 25 |
| Complexity | 720.5994 |
Chemical Identifiers
| CAS Number | 692274-14-9 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)Br)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O |
Product Overview
(E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (CAS 692274-14-9), with molecular formula C17H18BrNO4S2 and molecular weight 442.99 g/mol. IUPAC: 3-[(5E)-5-[(5-bromo-2-butoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
Property Insights of (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
The XLogP value of 4.3039 indicates that (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid. Following Lipinski's Rule of Five, (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid has 1 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 (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The CAS number of (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is 692274-14-9.
What is the molecular formula of (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The molecular formula of (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is C17H18BrNO4S2.
What is the molecular weight of (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The molecular weight of (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is 442.99 g/mol.
Where can I buy (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
You can request a quote for (E)-3-(5-(5-bromo-2-butoxybenzylidene)-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-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(5-(5-bromo-2-butoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.