![2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione structure](/static/products/879/879592-35-5.png)
2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione (CAS 879592-35-5) is a chemical compound with molecular formula C21H18N6O2S and molecular weight 418.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[3-[4-(dimethylamino)phenyl]-[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-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione, 2-(2-(3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)isoindoline-1,3-dione, 2-[2-[3-(4-dimethylaminophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]isoindole-1,3-dione
| Molecular Formula | C21H18N6O2S |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 2.7575 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.1212 |
| Heavy Atoms | 30 |
| Complexity | 1239.3962 |
Chemical Identifiers
| CAS Number | 879592-35-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)CCN4C(=O)C5=CC=CC=C5C4=O |
Product Overview
2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione (CAS 879592-35-5), with molecular formula C21H18N6O2S and molecular weight 418.12 g/mol. IUPAC: 2-[2-[3-[4-(dimethylamino)phenyl]-[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-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.7575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione 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 2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione is 879592-35-5.
What is the molecular formula of 2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione is C21H18N6O2S.
What is the molecular weight of 2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione is 418.12 g/mol.
Where can I buy 2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-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-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-{3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}ethyl)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.