![ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate structure](/static/products/4881/488100-21-6.webp)
ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate
TL;DR: ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate (CAS 488100-21-6) is a chemical compound with molecular formula C21H18N4O5S and molecular weight 438.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate
Also Known As: ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate, (Z)-ethyl 4-(7-(4-nitrobenzylidene)-6-oxo-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate, ethyl 4-[(7Z)-7-(4-nitrobenzylidene)-6-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoate
| Molecular Formula | C21H18N4O5S |
|---|---|
| Molecular Weight | 438.10 g/mol |
| LogP | 1.8783 |
| Topological Polar Surface Area | 107.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.0998 |
| Heavy Atoms | 31 |
| Complexity | 1309.7853 |
Chemical Identifiers
| CAS Number | 488100-21-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CN=C3N(C2)C(=O)/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/S3 |
Product Overview
ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate (CAS 488100-21-6), with molecular formula C21H18N4O5S and molecular weight 438.10 g/mol. IUPAC: ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate.
Chemical Property Profile of ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate
Property Insights of ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate
The XLogP value of 1.8783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate. The TPSA of 107.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate has 0 hydrogen bond donor(s) and 8 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 ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate?
The CAS number of ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate is 488100-21-6.
What is the molecular formula of ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate?
The molecular formula of ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate is C21H18N4O5S.
What is the molecular weight of ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate?
The molecular weight of ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate is 438.10 g/mol.
Where can I buy ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate?
You can request a quote for ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]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-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(7Z)-7-[(4-nitrophenyl)methylidene]-6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.