![2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate structure](/static/products/6176/617694-63-0.webp)
2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
TL;DR: 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate (CAS 617694-63-0) is a chemical compound with molecular formula C24H23N3O4S and molecular weight 449.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(5E)-6-oxo-5-[(2-pentoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate
Also Known As: 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate, (E)-2-(6-oxo-5-(2-(pentyloxy)benzylidene)-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate, [2-[(5E)-6-oxo-5-[(2-pentoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate, 2-((5E)-6-Oxo-5-(2-(pentyloxy)benzylidene)-5,6-dihydro(1,3)thiazolo(3,2-B)(1,2,4)triazol-2-YL)phenyl acetate, 2-(6-Oxo-5-(2-(pentyloxy)benzylidene)-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
| Molecular Formula | C24H23N3O4S |
|---|---|
| Molecular Weight | 449.14 g/mol |
| LogP | 3.86 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.14093 |
| Heavy Atoms | 32 |
| Complexity | 1359.332 |
Chemical Identifiers
| CAS Number | 617694-63-0 |
|---|---|
| SMILES | CCCCCOC1=CC=CC=C1/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=CC=C4OC(=O)C)S2 |
Product Overview
2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate (CAS 617694-63-0), with molecular formula C24H23N3O4S and molecular weight 449.14 g/mol. IUPAC: [2-[(5E)-6-oxo-5-[(2-pentoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate.
Chemical Property Profile of 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
Property Insights of 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate
The XLogP value of 3.86 indicates that 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate. Following Lipinski's Rule of Five, 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate 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 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate?
The CAS number of 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate is 617694-63-0.
What is the molecular formula of 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate?
The molecular formula of 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate is C24H23N3O4S.
What is the molecular weight of 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate?
The molecular weight of 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate is 449.14 g/mol.
Where can I buy 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate?
You can request a quote for 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-{(5E)-6-oxo-5-[2-(pentyloxy)benzylidene]-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl}phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.