![2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione structure](/static/products/537/537017-25-7.png)
2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione
TL;DR: 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione (CAS 537017-25-7) is a chemical compound with molecular formula C23H21N5O2S and molecular weight 431.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[3-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]isoindole-1,3-dione
Also Known As: 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione, 2-(2-{3-[4-(tert-butyl)phenyl]-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl}et hyl)benzo[c]azoline-1,3-dione, 2-[2-[3-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]isoindole-1,3-dione, 2-{2-[3-(4-tert-butylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C23H21N5O2S |
|---|---|
| Molecular Weight | 431.14 g/mol |
| LogP | 3.989 |
| Topological Polar Surface Area | 80.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.1416 |
| Heavy Atoms | 31 |
| Complexity | 1278.9939 |
Chemical Identifiers
| CAS Number | 537017-25-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)CCN4C(=O)C5=CC=CC=C5C4=O |
Product Overview
2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione (CAS 537017-25-7), with molecular formula C23H21N5O2S and molecular weight 431.14 g/mol. IUPAC: 2-[2-[3-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]isoindole-1,3-dione.
Chemical Property Profile of 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione
Property Insights of 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione
The XLogP value of 3.989 indicates that 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione has 0 hydrogen bond donor(s) and 6 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 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione?
The CAS number of 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione is 537017-25-7.
What is the molecular formula of 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione?
The molecular formula of 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione is C23H21N5O2S.
What is the molecular weight of 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione?
The molecular weight of 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione is 431.14 g/mol.
Where can I buy 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione?
You can request a quote for 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.