![Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate structure](/static/products/944/944652-73-7.png)
Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate
TL;DR: Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate (CAS 944652-73-7) is a chemical compound with molecular formula C28H24BrFN2O5S and molecular weight 598.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
Also Known As: Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate, ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
| Molecular Formula | C28H24BrFN2O5S |
|---|---|
| Molecular Weight | 598.06 g/mol |
| LogP | 6.5863 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 598.0573 |
| Heavy Atoms | 38 |
| Complexity | 1425.2415 |
Chemical Identifiers
| CAS Number | 944652-73-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)C(=CC3=CC(=C(C(=C3)Br)OCC4=CC(=CC=C4)F)OC)S2)C |
Product Overview
Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate (CAS 944652-73-7), with molecular formula C28H24BrFN2O5S and molecular weight 598.06 g/mol. IUPAC: ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate
Property Insights of Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate
The XLogP value of 6.5863 indicates that Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate?
The CAS number of Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate is 944652-73-7.
What is the molecular formula of Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate?
The molecular formula of Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate is C28H24BrFN2O5S.
What is the molecular weight of Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate?
The molecular weight of Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate is 598.06 g/mol.
Where can I buy Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate?
You can request a quote for Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[5-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.