![(5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one structure](/static/products/616/616211-22-4.png)
(5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
TL;DR: (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 616211-22-4) is a chemical compound with molecular formula C27H29N3O5S and molecular weight 507.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5E)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (E)-2-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-5-(4-(heptyloxy)-3-methoxybenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-{[4-(heptyloxy)-3-methoxyphenyl]methylidene}-5H,6H-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-one
| Molecular Formula | C27H29N3O5S |
|---|---|
| Molecular Weight | 507.18 g/mol |
| LogP | 4.569 |
| Topological Polar Surface Area | 84.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 507.1828 |
| Heavy Atoms | 36 |
| Complexity | 1447.6327 |
Chemical Identifiers
| CAS Number | 616211-22-4 |
|---|---|
| SMILES | CCCCCCCOC1=C(C=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4COC5=CC=CC=C5O4)S2)OC |
Product Overview
(5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (CAS 616211-22-4), with molecular formula C27H29N3O5S and molecular weight 507.18 g/mol. IUPAC: (5E)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Property Insights of (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
The XLogP value of 4.569 indicates that (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]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 84.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one. Following Lipinski's Rule of Five, (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The CAS number of (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 616211-22-4.
What is the molecular formula of (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular formula of (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is C27H29N3O5S.
What is the molecular weight of (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
The molecular weight of (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one is 507.18 g/mol.
Where can I buy (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
You can request a quote for (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][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 (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (5E)-2-(2,3-dihydro-1,4-benzodioxin-2-yl)-5-[4-(heptyloxy)-3-methoxybenzylidene][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.