(5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
TL;DR: (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione (CAS 431930-36-8) is a chemical compound with molecular formula C18H13BrN2O5S and molecular weight 447.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
Also Known As: (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione, (5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione, 5-[(5-bromo-2-methoxy-phenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
| Molecular Formula | C18H13BrN2O5S |
|---|---|
| Molecular Weight | 447.97 g/mol |
| LogP | 4.6024 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.97287 |
| Heavy Atoms | 27 |
| Complexity | 975.97437 |
Chemical Identifiers
| CAS Number | 431930-36-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)/C=C/2\C(=O)N(C(=O)S2)CC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione (CAS 431930-36-8), with molecular formula C18H13BrN2O5S and molecular weight 447.97 g/mol. IUPAC: (5E)-5-[(5-bromo-2-methoxyphenyl)methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Property Insights of (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione
The XLogP value of 4.6024 indicates that (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione. Following Lipinski's Rule of Five, (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione has 0 hydrogen bond donor(s) and 6 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-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione?
The CAS number of (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione is 431930-36-8.
What is the molecular formula of (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione?
The molecular formula of (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione is C18H13BrN2O5S.
What is the molecular weight of (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione?
The molecular weight of (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione is 447.97 g/mol.
Where can I buy (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione?
You can request a quote for (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(5-bromo-2-methoxybenzylidene)-3-(3-nitrobenzyl)-1,3-thiazolidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.