![(E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one structure](/static/products/797/797797-65-0.png)
(E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
TL;DR: (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 797797-65-0) is a chemical compound with molecular formula C28H29N3O4S and molecular weight 503.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-2-(3-methyl-1-benzofuran-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-2-(3-methyl-1-benzofuran-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
| Molecular Formula | C28H29N3O4S |
|---|---|
| Molecular Weight | 503.19 g/mol |
| LogP | 5.77812 |
| Topological Polar Surface Area | 78.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 503.18787 |
| Heavy Atoms | 36 |
| Complexity | 1615.3268 |
Chemical Identifiers
| CAS Number | 797797-65-0 |
|---|---|
| SMILES | CCCCCCCOC1=C(C=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=C(C5=CC=CC=C5O4)C)S2)OC |
Product Overview
(E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 797797-65-0), with molecular formula C28H29N3O4S and molecular weight 503.19 g/mol. IUPAC: (5E)-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-2-(3-methyl-1-benzofuran-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Property Insights of (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
The XLogP value of 5.77812 indicates that (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one. Following Lipinski's Rule of Five, (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The CAS number of (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 797797-65-0.
What is the molecular formula of (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular formula of (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is C28H29N3O4S.
What is the molecular weight of (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular weight of (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 503.19 g/mol.
Where can I buy (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
You can request a quote for (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)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 (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(4-(heptyloxy)-3-methoxybenzylidene)-2-(3-methylbenzofuran-2-yl)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.