![6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one structure](/static/products/538/538338-19-1.png)
6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one
TL;DR: 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one (CAS 538338-19-1) is a chemical compound with molecular formula C17H20N6O3 and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-8-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one
Also Known As: 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one, F1252-1349, 6-tert-butyl-8-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one, 6-tert-butyl-8-[(E)-[(3,4-dimethoxyphenyl)methylidene]amino]-7H,8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one, (E)-6-(tert-butyl)-8-((3,4-dimethoxybenzylidene)amino)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one
| Molecular Formula | C17H20N6O3 |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | 1.4829 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.1597 |
| Heavy Atoms | 26 |
| Complexity | 1029.1348 |
Chemical Identifiers
| CAS Number | 538338-19-1 |
|---|---|
| SMILES | CC(C)(C)C1=NN2C=NN=C2N(C1=O)/N=C/C3=CC(=C(C=C3)OC)OC |
Product Overview
6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one (CAS 538338-19-1), with molecular formula C17H20N6O3 and molecular weight 356.16 g/mol. IUPAC: 6-tert-butyl-8-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one.
Chemical Property Profile of 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one
Property Insights of 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one
The XLogP value of 1.4829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one. Following Lipinski's Rule of Five, 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-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 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one?
The CAS number of 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one is 538338-19-1.
What is the molecular formula of 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one?
The molecular formula of 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one is C17H20N6O3.
What is the molecular weight of 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one?
The molecular weight of 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one is 356.16 g/mol.
Where can I buy 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one?
You can request a quote for 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-butyl-8-{[(E)-(3,4-dimethoxyphenyl)methylidene]amino}[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.