(5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
TL;DR: (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one (CAS 359609-32-8) is a chemical compound with molecular formula C13H12BrNO3S2 and molecular weight 372.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(3-Bromo-4-ethoxy-5-methoxybenzylidene)-2-mercaptothiazol-4(5H)-one, (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one, 5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylene]-2-sulfanyl-1,3-thiazolin-4-one, (5E)-5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C13H12BrNO3S2 |
|---|---|
| Molecular Weight | 372.94 g/mol |
| LogP | 3.3452 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.9442 |
| Heavy Atoms | 20 |
| Complexity | 601.52423 |
Chemical Identifiers
| CAS Number | 359609-32-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1Br)/C=C/2\C(=O)NC(=S)S2)OC |
Product Overview
(5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one (CAS 359609-32-8), with molecular formula C13H12BrNO3S2 and molecular weight 372.94 g/mol. IUPAC: (5E)-5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
Property Insights of (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
The XLogP value of 3.3452 indicates that (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.56 Ų, (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one 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 (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one?
The CAS number of (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one is 359609-32-8.
What is the molecular formula of (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one?
The molecular formula of (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one is C13H12BrNO3S2.
What is the molecular weight of (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one?
The molecular weight of (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one is 372.94 g/mol.
Where can I buy (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one?
You can request a quote for (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.