![(Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate structure](/static/products/6906/690695-80-8.webp)
(Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate
TL;DR: (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate (CAS 690695-80-8) is a chemical compound with molecular formula C19H17N3O3S2 and molecular weight 399.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(7Z)-6-oxo-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate
Also Known As: (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate, ethyl 4-[(7Z)-6-oxo-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate, ethyl 4-[(7Z)-6-oxo-7-(thiophen-2-ylmethylidene)-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl]benzoate
| Molecular Formula | C19H17N3O3S2 |
|---|---|
| Molecular Weight | 399.07 g/mol |
| LogP | 2.0316 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.07114 |
| Heavy Atoms | 27 |
| Complexity | 1128.571 |
Chemical Identifiers
| CAS Number | 690695-80-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CN=C3N(C2)C(=O)/C(=C/C4=CC=CS4)/S3 |
Product Overview
(Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate (CAS 690695-80-8), with molecular formula C19H17N3O3S2 and molecular weight 399.07 g/mol. IUPAC: ethyl 4-[(7Z)-6-oxo-7-(thiophen-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl]benzoate.
Chemical Property Profile of (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate
Property Insights of (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate
The XLogP value of 2.0316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-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 (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate. Following Lipinski's Rule of Five, (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate has 0 hydrogen bond donor(s) and 7 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 (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate?
The CAS number of (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate is 690695-80-8.
What is the molecular formula of (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate?
The molecular formula of (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate is C19H17N3O3S2.
What is the molecular weight of (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate?
The molecular weight of (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate is 399.07 g/mol.
Where can I buy (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate?
You can request a quote for (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-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 (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a][1,3,5]triazin-3(4H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 4-(6-oxo-7-(thiophen-2-ylmethylene)-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.