![4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid structure](/static/products/944/944651-01-8.png)
4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid
TL;DR: 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid (CAS 944651-01-8) is a chemical compound with molecular formula C27H22BrClN2O5S and molecular weight 600.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid, 4-[[5-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
| Molecular Formula | C27H22BrClN2O5S |
|---|---|
| Molecular Weight | 600.01 g/mol |
| LogP | 7.0122 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 600.01215 |
| Heavy Atoms | 37 |
| Complexity | 1408.4055 |
Chemical Identifiers
| CAS Number | 944651-01-8 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=NC3=CC=C(C=C3)C(=O)O)S2)C)Br)OCC4=CC(=CC=C4)Cl |
Product Overview
4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid (CAS 944651-01-8), with molecular formula C27H22BrClN2O5S and molecular weight 600.01 g/mol. IUPAC: 4-[[5-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
Chemical Property Profile of 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid
Property Insights of 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid
The XLogP value of 7.0122 indicates that 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
The CAS number of 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid is 944651-01-8.
What is the molecular formula of 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
The molecular formula of 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid is C27H22BrClN2O5S.
What is the molecular weight of 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
The molecular weight of 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid is 600.01 g/mol.
Where can I buy 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
You can request a quote for 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[5-[[3-Bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.