![2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione structure](/static/products/879/879589-43-2.png)
2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione
TL;DR: 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione (CAS 879589-43-2) is a chemical compound with molecular formula C20H16N6O2S and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]isoindole-1,3-dione
Also Known As: 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione, 2-({3-[4-(dimethylamino)phenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}methyl)-1H-isoindole-1,3(2H)-dione, 2-[[3-(4-dimethylaminophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]isoindole-1,3-dione
| Molecular Formula | C20H16N6O2S |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 2.715 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.10553 |
| Heavy Atoms | 29 |
| Complexity | 1222.7161 |
Chemical Identifiers
| CAS Number | 879589-43-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)CN4C(=O)C5=CC=CC=C5C4=O |
Product Overview
2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione (CAS 879589-43-2), with molecular formula C20H16N6O2S and molecular weight 404.11 g/mol. IUPAC: 2-[[3-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]isoindole-1,3-dione.
Chemical Property Profile of 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione
Property Insights of 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione
The XLogP value of 2.715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione. Following Lipinski's Rule of Five, 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-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-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione?
The CAS number of 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione is 879589-43-2.
What is the molecular formula of 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione?
The molecular formula of 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione is C20H16N6O2S.
What is the molecular weight of 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione?
The molecular weight of 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione is 404.11 g/mol.
Where can I buy 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione?
You can request a quote for 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)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-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-(dimethylamino)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.