![1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one structure](/static/products/7066/7066-76-4.webp)
1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one
TL;DR: 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one (CAS 7066-76-4) is a chemical compound with molecular formula C31H28N4O3S and molecular weight 536.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-benzyl-2-oxoindol-3-ylidene)-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one, 5-(1-benzyl-2-oxoindol-3-ylidene)-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
| Molecular Formula | C31H28N4O3S |
|---|---|
| Molecular Weight | 536.19 g/mol |
| LogP | 5.2418 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 536.18823 |
| Heavy Atoms | 39 |
| Complexity | 1742.5055 |
Chemical Identifiers
| CAS Number | 7066-76-4 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=C4C5=CC=CC=C5N(C4=O)CC6=CC=CC=C6)SC3=N2 |
Product Overview
1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one (CAS 7066-76-4), with molecular formula C31H28N4O3S and molecular weight 536.19 g/mol. IUPAC: 5-(1-benzyl-2-oxoindol-3-ylidene)-2-(4-hexoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one
Property Insights of 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one
The XLogP value of 5.2418 indicates that 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one. Following Lipinski's Rule of Five, 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one?
The CAS number of 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one is 7066-76-4.
What is the molecular formula of 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one?
The molecular formula of 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one is C31H28N4O3S.
What is the molecular weight of 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one?
The molecular weight of 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one is 536.19 g/mol.
Where can I buy 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one?
You can request a quote for 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-{2-[4-(hexyloxy)phenyl]-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene}-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.