![5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one structure](/static/products/7067/7067-01-8.webp)
5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
TL;DR: 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 7067-01-8) is a chemical compound with molecular formula C20H14N4O4S and molecular weight 406.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-nitrophenyl)methylidene]-2-(4-prop-2-enoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-[(3-nitrophenyl)methylidene]-2-(4-prop-2-enoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
| Molecular Formula | C20H14N4O4S |
|---|---|
| Molecular Weight | 406.07 g/mol |
| LogP | 2.8387 |
| Topological Polar Surface Area | 99.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.07358 |
| Heavy Atoms | 29 |
| Complexity | 1325.0222 |
Chemical Identifiers
| CAS Number | 7067-01-8 |
|---|---|
| SMILES | C=CCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])SC3=N2 |
Product Overview
5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 7067-01-8), with molecular formula C20H14N4O4S and molecular weight 406.07 g/mol. IUPAC: 5-[(3-nitrophenyl)methylidene]-2-(4-prop-2-enoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Property Insights of 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
The XLogP value of 2.8387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one. The TPSA of 99.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one. Following Lipinski's Rule of Five, 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one 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 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The CAS number of 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 7067-01-8.
What is the molecular formula of 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular formula of 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is C20H14N4O4S.
What is the molecular weight of 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular weight of 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 406.07 g/mol.
Where can I buy 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
You can request a quote for 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-Nitrophenyl)methylidene]-2-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.