![(E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate structure](/static/products/324/324564-02-5.png)
(E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate
TL;DR: (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate (CAS 324564-02-5) is a chemical compound with molecular formula C19H11BrN4O5S and molecular weight 485.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-3-[(E)-[2-(3-nitrophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
Also Known As: (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate, [4-bromo-3-[(E)-[2-(3-nitrophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate, 4-bromo-3-{(E)-[2-(3-nitrophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate, 4-bromo-3-{[2-(3-nitrophenyl)-6-oxo(1,3-thiazolidino[3,2-d]1,2,4-triazol-5-yli dene)]methyl}phenyl acetate
| Molecular Formula | C19H11BrN4O5S |
|---|---|
| Molecular Weight | 485.96 g/mol |
| LogP | 2.9617 |
| Topological Polar Surface Area | 116.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.96335 |
| Heavy Atoms | 30 |
| Complexity | 1428.7167 |
Chemical Identifiers
| CAS Number | 324564-02-5 |
|---|---|
| SMILES | CC(=O)OC1=CC(=C(C=C1)Br)/C=C/2\C(=O)N3C(=NC(=N3)C4=CC(=CC=C4)[N+](=O)[O-])S2 |
Product Overview
(E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate (CAS 324564-02-5), with molecular formula C19H11BrN4O5S and molecular weight 485.96 g/mol. IUPAC: [4-bromo-3-[(E)-[2-(3-nitrophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate.
Chemical Property Profile of (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate
Property Insights of (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate
The XLogP value of 2.9617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate. The TPSA of 116.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate. Following Lipinski's Rule of Five, (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate has 0 hydrogen bond donor(s) and 8 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)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate?
The CAS number of (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate is 324564-02-5.
What is the molecular formula of (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate?
The molecular formula of (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate is C19H11BrN4O5S.
What is the molecular weight of (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate?
The molecular weight of (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate is 485.96 g/mol.
Where can I buy (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate?
You can request a quote for (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)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)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-bromo-3-((2-(3-nitrophenyl)-6-oxothiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.