![methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate structure](/static/products/3075/307536-65-8.webp)
methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
TL;DR: methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate (CAS 307536-65-8) is a chemical compound with molecular formula C17H18BrNO3S2 and molecular weight 426.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
Also Known As: methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate, (E)-methyl 6-(5-(4-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoate, methyl 6-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate, methyl 6-{5-[(4-bromophenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hex anoate
| Molecular Formula | C17H18BrNO3S2 |
|---|---|
| Molecular Weight | 426.99 g/mol |
| LogP | 4.3837 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.99115 |
| Heavy Atoms | 24 |
| Complexity | 658.30444 |
Chemical Identifiers
| CAS Number | 307536-65-8 |
|---|---|
| SMILES | COC(=O)CCCCCN1C(=O)/C(=C\C2=CC=C(C=C2)Br)/SC1=S |
Product Overview
methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate (CAS 307536-65-8), with molecular formula C17H18BrNO3S2 and molecular weight 426.99 g/mol. IUPAC: methyl 6-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate.
Chemical Property Profile of methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
Property Insights of methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate
The XLogP value of 4.3837 indicates that methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate has 0 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 methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate?
The CAS number of methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate is 307536-65-8.
What is the molecular formula of methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate?
The molecular formula of methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate is C17H18BrNO3S2.
What is the molecular weight of methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate?
The molecular weight of methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate is 426.99 g/mol.
Where can I buy methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate?
You can request a quote for methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-[(5E)-5-(4-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.