![2-((3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione structure](/static/products/537/537017-18-8.png)
2-((3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione
TL;DR: 2-((3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione (CAS 537017-18-8) is a chemical compound with molecular formula C19H13N5O3S and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]isoindole-1,3-dione
Also Known As: 2-((3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione, 2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]isoindole-1,3-dione, 2-{[3-(4-methoxyphenyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl]methyl}be nzo[c]azoline-1,3-dione, 2-{[3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl}-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C19H13N5O3S |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.0739 |
| Heavy Atoms | 28 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 537017-18-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)CN4C(=O)C5=CC=CC=C5C4=O |
| InChIKey | DIXNPGUUIWISFD-UHFFFAOYSA-N |
Product Overview
2-((3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione (CAS 537017-18-8), with molecular formula C19H13N5O3S and molecular weight 391.07 g/mol. IUPAC: 2-[[3-(4-methoxyphenyl)-[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-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione
Property Insights of 2-((3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(4-methoxyphenyl)-[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-methoxyphenyl)-[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-methoxyphenyl)-[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-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione is 537017-18-8.
What is the molecular formula of 2-((3-(4-methoxyphenyl)-[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-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione is C19H13N5O3S.
What is the molecular weight of 2-((3-(4-methoxyphenyl)-[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-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl)isoindoline-1,3-dione is 391.07 g/mol.
Where can I buy 2-((3-(4-methoxyphenyl)-[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-methoxyphenyl)-[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-methoxyphenyl)-[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-methoxyphenyl)-[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.