(E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
TL;DR: (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate (CAS 385389-84-4) is a chemical compound with molecular formula C23H14N4O6S and molecular weight 474.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate
Also Known As: (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate, [2-[(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate, 2-(5-{[5-(2-nitrophenyl)-2-furyl]methylene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate, 2-[(5E)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate, 2-[(5E)-5-{[5-(2-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-6-OXO-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-2-YL]PHENYL ACETATE
| Molecular Formula | C23H14N4O6S |
|---|---|
| Molecular Weight | 474.06 g/mol |
| LogP | 3.4592 |
| Topological Polar Surface Area | 129.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.06342 |
| Heavy Atoms | 34 |
| Complexity | 1683.0233 |
Chemical Identifiers
| CAS Number | 385389-84-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C2=NN3C(=O)/C(=C\C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-])/SC3=N2 |
Product Overview
(E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate (CAS 385389-84-4), with molecular formula C23H14N4O6S and molecular weight 474.06 g/mol. IUPAC: [2-[(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl] acetate.
Chemical Property Profile of (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Property Insights of (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
The XLogP value of 3.4592 indicates that (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[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 129.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate. Following Lipinski's Rule of Five, (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate has 0 hydrogen bond donor(s) and 9 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 (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate?
The CAS number of (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate is 385389-84-4.
What is the molecular formula of (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate?
The molecular formula of (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate is C23H14N4O6S.
What is the molecular weight of (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate?
The molecular weight of (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate is 474.06 g/mol.
Where can I buy (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate?
You can request a quote for (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[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 (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(5-((5-(2-nitrophenyl)furan-2-yl)methylene)-6-oxo-5,6-dihydrothiazolo[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.