![5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone structure](/static/products/6906/690646-17-4.webp)
5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone
TL;DR: 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone (CAS 690646-17-4) is a chemical compound with molecular formula C18H13BrN2O5S2 and molecular weight 479.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone, 5-({3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, 5-[[3-bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C18H13BrN2O5S2 |
|---|---|
| Molecular Weight | 479.94 g/mol |
| LogP | 4.4337 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.94492 |
| Heavy Atoms | 28 |
| Complexity | 1009.46564 |
Chemical Identifiers
| CAS Number | 690646-17-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)S2)Br)OCC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone (CAS 690646-17-4), with molecular formula C18H13BrN2O5S2 and molecular weight 479.94 g/mol. IUPAC: 5-[[3-bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone
Property Insights of 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone
The XLogP value of 4.4337 indicates that 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone. Following Lipinski's Rule of Five, 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone has 1 hydrogen bond donor(s) and 7 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 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone?
The CAS number of 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone is 690646-17-4.
What is the molecular formula of 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone?
The molecular formula of 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone is C18H13BrN2O5S2.
What is the molecular weight of 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone?
The molecular weight of 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone is 479.94 g/mol.
Where can I buy 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone?
You can request a quote for 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-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-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-[[3-Bromo-5-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylene]-2-thioxo-4-thiazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.