(4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one
TL;DR: (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one (CAS 430464-08-7) is a chemical compound with molecular formula C12H10BrNO2S2 and molecular weight 342.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one
Also Known As: (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one, (4Z)-4-(3-BROMO-4-METHOXYBENZYLIDENE)-2-(METHYLTHIO)-1,3-THIAZOL-5(4H)-ONE
| Molecular Formula | C12H10BrNO2S2 |
|---|---|
| Molecular Weight | 342.93 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.93362 |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 430464-08-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/2\C(=O)SC(=N2)SC)Br |
| InChIKey | WEBQBZVQQKVABN-RMKNXTFCSA-N |
Product Overview
(4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one (CAS 430464-08-7), with molecular formula C12H10BrNO2S2 and molecular weight 342.93 g/mol. IUPAC: (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one.
Chemical Property Profile of (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one
Property Insights of (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one
The XLogP value of 4.1 indicates that (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one. Following Lipinski's Rule of Five, (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one 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 (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one?
The CAS number of (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one is 430464-08-7.
What is the molecular formula of (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one?
The molecular formula of (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one is C12H10BrNO2S2.
What is the molecular weight of (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one?
The molecular weight of (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one is 342.93 g/mol.
Where can I buy (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one?
You can request a quote for (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.