![ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate structure](/static/products/839/839701-72-3.png)
ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate
TL;DR: ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate (CAS 839701-72-3) is a chemical compound with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(7Z)-6-oxo-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate
Also Known As: ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate, ethyl 4-[(7Z)-6-oxo-7-[(2E)-3-phenylprop-2-en-1-ylidene]-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoate, ethyl 4-[(7Z)-6-oxo-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate
| Molecular Formula | C23H21N3O3S |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 2.6352 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.13037 |
| Heavy Atoms | 30 |
| Complexity | 1241.5857 |
Chemical Identifiers
| CAS Number | 839701-72-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CN=C3N(C2)C(=O)/C(=C/C=C/C4=CC=CC=C4)/S3 |
Product Overview
ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate (CAS 839701-72-3), with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol. IUPAC: ethyl 4-[(7Z)-6-oxo-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate.
Chemical Property Profile of ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate
Property Insights of ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate
The XLogP value of 2.6352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate 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 ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate?
The CAS number of ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate is 839701-72-3.
What is the molecular formula of ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate?
The molecular formula of ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate is C23H21N3O3S.
What is the molecular weight of ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate?
The molecular weight of ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate is 419.13 g/mol.
Where can I buy ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate?
You can request a quote for ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-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-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((Z)-6-oxo-7-((E)-3-phenylallylidene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.