(E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
TL;DR: (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 17385-98-7) is a chemical compound with molecular formula C14H12BrNO3S2 and molecular weight 384.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BAS 00564719, (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 4-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, F0207-0138, 4-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C14H12BrNO3S2 |
|---|---|
| Molecular Weight | 384.94 g/mol |
| LogP | 3.5151 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.9442 |
| Heavy Atoms | 21 |
| Complexity | 613.1501 |
Chemical Identifiers
| CAS Number | 17385-98-7 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O)Br |
Product Overview
(E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 17385-98-7), with molecular formula C14H12BrNO3S2 and molecular weight 384.94 g/mol. IUPAC: 4-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
Property Insights of (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
The XLogP value of 3.5151 indicates that (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic 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)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic 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)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The CAS number of (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 17385-98-7.
What is the molecular formula of (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular formula of (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is C14H12BrNO3S2.
What is the molecular weight of (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular weight of (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 384.94 g/mol.
Where can I buy (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
You can request a quote for (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.