![2-[(5E)-5-(2-butoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate structure](/static/products/6162/616210-28-7.webp)
2-[(5E)-5-(2-butoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
TL;DR: 2-[(5E)-5-(2-butoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate (CAS 616210-28-7) is a chemical compound with molecular formula C23H21N3O4S and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(5E)-5-[(2-butoxyphenyl)methylidene]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate
Also Known As: 2-[(5E)-5-(2-butoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate, (E)-2-(5-(2-butoxybenzylidene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate, [2-[(5E)-5-[(2-butoxyphenyl)methylidene]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate, 2-[(5E)-5-[(2-BUTOXYPHENYL)METHYLIDENE]-6-OXO-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-2-YL]PHENYL ACETATE
| Molecular Formula | C23H21N3O4S |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 3.4699 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.12527 |
| Heavy Atoms | 31 |
| Complexity | 1342.6127 |
Chemical Identifiers
| CAS Number | 616210-28-7 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=CC=C4OC(=O)C)S2 |
Product Overview
2-[(5E)-5-(2-butoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate (CAS 616210-28-7), with molecular formula C23H21N3O4S and molecular weight 435.13 g/mol. IUPAC: [2-[(5E)-5-[(2-butoxyphenyl)methylidene]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate.
Chemical Property Profile of 2-[(5E)-5-(2-butoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
Property Insights of 2-[(5E)-5-(2-butoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
The XLogP value of 3.4699 indicates that 2-[(5E)-5-(2-butoxybenzylidene)-6-oxo-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)-5-(2-butoxybenzylidene)-6-oxo-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)-5-(2-butoxybenzylidene)-6-oxo-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)-5-(2-butoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate?
The CAS number of 2-[(5E)-5-(2-butoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate is 616210-28-7.
What is the molecular formula of 2-[(5E)-5-(2-butoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate?
The molecular formula of 2-[(5E)-5-(2-butoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate is C23H21N3O4S.
What is the molecular weight of 2-[(5E)-5-(2-butoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate?
The molecular weight of 2-[(5E)-5-(2-butoxybenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate is 435.13 g/mol.
Where can I buy 2-[(5E)-5-(2-butoxybenzylidene)-6-oxo-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)-5-(2-butoxybenzylidene)-6-oxo-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)-5-(2-butoxybenzylidene)-6-oxo-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)-5-(2-butoxybenzylidene)-6-oxo-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.