![5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone structure](/static/products/4296/429649-93-4.webp)
5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone
TL;DR: 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone (CAS 429649-93-4) is a chemical compound with molecular formula C21H18BrNO2S2 and molecular weight 459.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone, 5-({5-Bromo-2-[(4-methylphenyl)methoxy]phenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one, 5-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C21H18BrNO2S2 |
|---|---|
| Molecular Weight | 459.00 g/mol |
| LogP | 5.72372 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.99622 |
| Heavy Atoms | 27 |
| Complexity | 922.2789 |
Chemical Identifiers
| CAS Number | 429649-93-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=C3C(=O)N(C(=S)S3)CC=C |
Product Overview
5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone (CAS 429649-93-4), with molecular formula C21H18BrNO2S2 and molecular weight 459.00 g/mol. IUPAC: 5-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone
Property Insights of 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone
The XLogP value of 5.72372 indicates that 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone?
The CAS number of 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone is 429649-93-4.
What is the molecular formula of 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone?
The molecular formula of 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone is C21H18BrNO2S2.
What is the molecular weight of 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone?
The molecular weight of 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone is 459.00 g/mol.
Where can I buy 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone?
You can request a quote for 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-[[5-Bromo-2-[(4-methylphenyl)methoxy]phenyl]methylene]-3-(2-propen-1-yl)-2-thioxo-4-thiazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.